# Supplementary Material (ESI) for New Journal of Chemistry # This journal is (c) The Royal Society of Chemistry and # The Centre National de la Recherche Scientifique, 2009 data_global _journal_name_full 'New J.Chem.' _journal_coden_Cambridge 0440 _journal_volume ? _journal_page_first ? _journal_year ? _publ_contact_author_name 'Eric Quarez' _publ_contact_author_email ERIC.QUAREZ@CNRS-IMN.FR _publ_section_title ; Crystal structures of new silver ion conductors Ag7Fe3(X2O7)4 (X = P, As) ; loop_ _publ_author_name 'Eric Quarez' 'Christian Masquelier' 'Olivier Mentre' 'Yassine Oumellal' #End # Attachment 'Ag7Fe3_P2O7_4_100K.cif' #======================================================================= data_3 _database_code_depnum_ccdc_archive 'CCDC 707710' #======================================================================= _audit_creation_method 'Jana2000 Version : 22/12/2005' # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Ag7 Fe3 O28 P8' _chemical_formula_weight 1618.4 _chemical_melting_point ? _chemical_compound_source ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_space_group_name_Hall '-P 2ycb' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2+y,1/2-z 3 -x,-y,-z 4 x,1/2-y,1/2+z _cell_length_a 9.532(3) _cell_length_b 8.421(2) _cell_length_c 28.021(8) _cell_angle_alpha 90 _cell_angle_beta 93.225(5) _cell_angle_gamma 90 _cell_volume 2245.7(11) _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 100 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 4.785 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 3004 _exptl_absorpt_coefficient_mu 8.546 _exptl_crystal_description plate-like _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_size_rad 90 _exptl_crystal_colour yellow _exptl_absorpt_correction_type None _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 100 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'BRUKER SMART CCD 1K' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number 5400 _diffrn_reflns_theta_min 2.52 _diffrn_reflns_theta_max 29.06 _diffrn_reflns_theta_full 28.33 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 0.95 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0571 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 37 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 5399 _reflns_number_gt 3803 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0383 _refine_ls_wR_factor_gt 0.0414 _refine_ls_R_factor_all 0.0383 _refine_ls_wR_factor_ref 0.0414 _refine_ls_goodness_of_fit_ref 1.92 _refine_ls_goodness_of_fit_gt 1.92 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 3803 _refine_ls_number_parameters 402 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme unit _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0038 _refine_ls_shift/su_mean 0.0002 _refine_diff_density_max 1.81 _refine_diff_density_min -1.05 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 0.023(2) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508 P 0.102 0.094 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 6.4345 1.9067 4.1791 27.157 1.78 0.526 1.4908 68.164497 1.1149 Fe 0.346 0.844 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 11.7695 4.7611 7.3573 0.3072 3.5222 15.3535 2.3045 76.880501 1.0369 Ag -0.897 1.102 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 19.2808 0.6446 16.688499 7.4726 4.8045 24.6605 1.0463 99.815598 5.179 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement '(Jana2000; Petricek and Dusek, 2000)' _computing_molecular_graphics ? _computing_publication_material '(Jana2000; Petricek and Dusek, 2000)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1a Ag 0.49290(9) 0.13642(10) 0.05432(3) Uani 0.0096(2) 4 1 d . . . Ag1b Ag 0.99959(9) -0.64609(10) -0.06121(3) Uani 0.0112(2) 4 1 d . . . Ag2b Ag 0.22920(9) 0.07032(10) 0.14246(3) Uani 0.0102(2) 4 1 d . . . Ag2a Ag 0.24036(9) 0.09570(10) 0.35397(3) Uani 0.0102(2) 4 1 d . . . Ag3b Ag -0.21506(9) 0.18770(11) 0.31134(4) Uani 0.0163(2) 4 1 d . . . Ag3a Ag 0.74857(10) 0.15440(12) 0.17181(4) Uani 0.0195(3) 4 1 d . . . Ag4a Ag 0.45882(10) 0.35804(12) 0.14723(3) Uani 0.0172(3) 4 1 d . . . Fe1 Fe 0.24836(16) 0.32621(17) 0.25142(5) Uani 0.0061(4) 4 1 d . . . Fe2a Fe 0.43276(15) -0.27836(18) 0.06431(5) Uani 0.0053(4) 4 1 d . . . Fe2b Fe 0.93295(15) 0.22152(18) 0.06349(5) Uani 0.0053(4) 4 1 d . . . P1a P 0.5464(3) 0.5094(3) 0.24430(10) Uani 0.0056(7) 4 1 d . . . P1b P -0.0493(3) 0.5049(3) 0.25452(10) Uani 0.0070(7) 4 1 d . . . P2a P 0.4791(3) 0.3878(3) 0.33519(9) Uani 0.0062(7) 4 1 d . . . P2b P 0.0290(3) 0.3823(3) 0.16526(9) Uani 0.0058(7) 4 1 d . . . P3a P 0.7428(3) -0.0919(3) 0.05804(10) Uani 0.0057(7) 4 1 d . . . P3b P 0.7603(3) -0.4111(3) -0.05548(9) Uani 0.0052(7) 4 1 d . . . P4a P 0.1683(3) -0.0386(3) 0.03320(10) Uani 0.0061(7) 4 1 d . . . P4b P 0.6669(3) -0.5404(3) 0.03479(9) Uani 0.0050(7) 4 1 d . . . O1a O 0.6213(8) 0.4406(9) 0.2027(3) Uani 0.008(2) 4 1 d . . . O1b O -0.1259(8) 0.4386(10) 0.2954(3) Uani 0.011(2) 4 1 d . . . O2a O 0.6056(7) 0.6660(9) 0.2622(3) Uiso 0.0054(14) 4 1 d . . . O3b O 0.1106(8) 0.5097(9) 0.2636(3) Uani 0.007(2) 4 1 d . . . O3a O 0.3862(8) 0.5115(9) 0.2362(3) Uani 0.010(2) 4 1 d . . . O2b O -0.1077(8) 0.6615(9) 0.2348(3) Uani 0.008(2) 4 1 d . . . O4a O 0.5729(8) 0.3882(9) 0.2889(3) Uani 0.008(2) 4 1 d . . . O4b O -0.0700(7) 0.3798(9) 0.2107(3) Uani 0.008(2) 4 1 d . . . O5b O 0.3283(7) 0.3453(10) 0.3178(3) Uani 0.010(2) 4 1 d . . . O5a O 0.1779(7) 0.3304(10) 0.1838(3) Uani 0.010(2) 4 1 d . . . O6a O 0.4859(8) 0.5538(9) 0.3568(3) Uani 0.010(2) 4 1 d . . . O6b O 0.0265(8) 0.5478(9) 0.1450(3) Uani 0.008(2) 4 1 d . . . O7a O 0.5467(7) 0.2568(9) 0.3656(3) Uani 0.008(2) 4 1 d . . . O7b O -0.0393(8) 0.2531(9) 0.1338(3) Uani 0.009(2) 4 1 d . . . O8b O 0.7707(8) 0.0775(9) 0.0763(3) Uani 0.008(2) 4 1 d . . . O8a O 0.7291(8) -0.5773(9) -0.0746(3) Uani 0.007(2) 4 1 d . . . O9a O 0.5846(8) -0.1235(9) 0.0503(3) Uani 0.009(2) 4 1 d . . . O9b O 0.9174(7) -0.3802(9) -0.0487(3) Uiso 0.0058(14) 4 1 d . . . O10b O 0.8177(8) -0.2191(9) 0.0867(3) Uani 0.009(2) 4 1 d . . . O10a O 0.6854(8) -0.2832(9) -0.0849(2) Uani 0.0053(19) 4 1 d . . . O11a O 0.2000(7) 0.0942(9) -0.0048(3) Uani 0.0055(19) 4 1 d . . . O11b O 0.7039(8) -0.4056(10) -0.0027(3) Uani 0.009(2) 4 1 d . . . O12a O 0.0981(7) -0.1777(9) 0.0059(3) Uiso 0.0073(14) 4 1 d . . . O12b O 0.5967(7) -0.6770(9) 0.0060(3) Uani 0.007(2) 4 1 d . . . O13b O 0.3054(7) -0.0876(9) 0.0590(3) Uani 0.009(2) 4 1 d . . . O13a O 0.8019(8) -0.5919(10) 0.0607(3) Uani 0.011(2) 4 1 d . . . O14b O 0.0721(8) 0.0400(9) 0.0673(3) Uani 0.009(2) 4 1 d . . . O14a O 0.5698(7) -0.4616(9) 0.0693(3) Uani 0.0057(19) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag1a Ag 0.0089(3) 0.0065(4) 0.0135(4) 0.0017(3) 0.0031(3) 0.0025(3) Ag1b Ag 0.0098(4) 0.0089(4) 0.0152(4) 0.0022(3) 0.0043(3) 0.0037(3) Ag2b Ag 0.0124(4) 0.0104(4) 0.0078(4) 0.0022(3) 0.0013(3) 0.0015(3) Ag2a Ag 0.0115(4) 0.0097(4) 0.0096(4) -0.0030(3) 0.0016(3) -0.0019(3) Ag3b Ag 0.0119(4) 0.0083(4) 0.0280(5) 0.0020(3) -0.0045(3) 0.0001(4) Ag3a Ag 0.0143(4) 0.0198(5) 0.0235(5) -0.0086(4) -0.0069(3) 0.0100(4) Ag4a Ag 0.0177(4) 0.0209(5) 0.0123(4) -0.0018(4) -0.0050(3) -0.0045(4) Fe1 Fe 0.0056(6) 0.0068(6) 0.0058(7) 0.0008(6) -0.0002(5) 0.0004(6) Fe2a Fe 0.0057(7) 0.0055(7) 0.0046(7) 0.0000(6) -0.0007(5) 0.0002(6) Fe2b Fe 0.0055(7) 0.0048(7) 0.0058(7) -0.0001(6) 0.0005(5) 0.0001(6) P1a P 0.0042(11) 0.0053(12) 0.0072(12) -0.0006(10) -0.0003(9) 0.0006(10) P1b P 0.0069(12) 0.0069(12) 0.0072(12) -0.0002(10) 0.0001(10) -0.0011(10) P2a P 0.0072(12) 0.0076(12) 0.0037(11) 0.0010(10) -0.0005(9) 0.0018(10) P2b P 0.0085(12) 0.0045(12) 0.0041(11) -0.0019(10) -0.0017(9) 0.0007(10) P3a P 0.0060(11) 0.0065(12) 0.0048(12) 0.0002(10) 0.0014(9) 0.0011(10) P3b P 0.0047(11) 0.0058(12) 0.0052(12) -0.0015(10) 0.0017(9) -0.0002(10) P4a P 0.0047(11) 0.0051(12) 0.0082(12) 0.0010(10) -0.0024(10) -0.0019(10) P4b P 0.0066(11) 0.0043(12) 0.0044(12) 0.0009(10) 0.0015(9) 0.0003(9) O1a O 0.010(3) 0.010(4) 0.005(3) -0.001(3) -0.001(3) 0.001(3) O1b O 0.010(4) 0.012(4) 0.009(4) 0.002(3) 0.000(3) -0.001(3) O3b O 0.005(3) 0.007(4) 0.009(4) -0.002(3) 0.001(3) -0.006(3) O3a O 0.009(4) 0.007(4) 0.013(4) -0.001(3) -0.002(3) -0.003(3) O2b O 0.008(3) 0.006(4) 0.011(4) 0.004(3) 0.002(3) 0.005(3) O4a O 0.009(3) 0.005(3) 0.008(3) -0.002(3) 0.001(3) 0.004(3) O4b O 0.003(3) 0.009(4) 0.012(4) -0.002(3) -0.001(3) 0.002(3) O5b O 0.006(3) 0.017(4) 0.007(4) 0.000(3) 0.000(3) -0.001(3) O5a O 0.004(3) 0.011(4) 0.013(4) 0.003(3) -0.004(3) -0.003(3) O6a O 0.006(3) 0.009(4) 0.015(4) 0.006(3) 0.000(3) -0.005(3) O6b O 0.010(3) 0.008(4) 0.005(3) -0.002(3) -0.005(3) -0.002(3) O7a O 0.004(3) 0.007(3) 0.012(4) -0.002(3) -0.001(3) 0.001(3) O7b O 0.008(3) 0.011(4) 0.008(4) -0.004(3) 0.003(3) -0.001(3) O8b O 0.008(3) 0.010(4) 0.007(3) 0.003(3) -0.001(3) -0.001(3) O8a O 0.007(3) 0.007(4) 0.008(3) -0.004(3) -0.001(3) -0.004(3) O9a O 0.004(3) 0.009(4) 0.014(4) -0.004(3) 0.003(3) 0.001(3) O10b O 0.012(4) 0.008(4) 0.007(4) -0.001(3) 0.001(3) 0.003(3) O10a O 0.008(3) 0.004(3) 0.003(3) 0.001(3) -0.004(3) 0.001(3) O11a O 0.007(3) 0.006(3) 0.003(3) 0.002(3) -0.003(3) -0.002(3) O11b O 0.008(3) 0.013(4) 0.006(3) 0.003(3) 0.003(3) -0.001(3) O12b O 0.006(3) 0.006(4) 0.009(4) -0.003(3) -0.002(3) 0.003(3) O13b O 0.003(3) 0.008(4) 0.014(4) 0.000(3) -0.005(3) -0.001(3) O13a O 0.006(3) 0.016(4) 0.012(4) 0.004(3) 0.003(3) -0.004(3) O14b O 0.012(4) 0.008(4) 0.007(4) 0.004(3) 0.001(3) -0.001(3) O14a O 0.006(3) 0.008(4) 0.002(3) 0.005(3) 0.001(3) 0.001(3) #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ag1a O6a . 2_645 2.582(8) yes Ag1a O8b . . 2.730(7) yes Ag1a O9a . . 2.362(8) yes Ag1a O9a . 3_655 2.983(8) yes Ag1a O10a . 3_655 2.305(7) yes Ag1a O12b . 1_565 2.330(8) yes Ag1a O13b . . 2.607(8) yes Ag1b O6b . 3_655 2.490(7) yes Ag1b O8a . . 2.649(7) yes Ag1b O9b . . 2.405(8) yes Ag1b O10b . 3_745 2.230(8) yes Ag1b O12a . 3_645 2.374(8) yes Ag1b O13a . 3_745 2.756(8) yes Ag2b O1b . 2_545 2.329(8) yes Ag2b O5a . . 2.538(8) yes Ag2b O6a . 2_645 2.718(7) yes Ag2b O7b . . 2.985(8) yes Ag2b O10a . 3_655 2.575(7) yes Ag2b O13b . . 2.820(8) yes Ag2b O14b . . 2.527(7) yes Ag2a O1a . 2_645 2.490(8) yes Ag2a O2b . 2_545 2.782(7) yes Ag2a O4b . 2_545 2.983(7) yes Ag2a O5b . . 2.498(8) yes Ag2a O6b . 2_545 2.577(7) yes Ag2a O10b . 2_655 2.368(8) yes Ag2a O13a . 2_655 2.914(8) yes Ag2a O14a . 2_655 2.774(7) yes Ag3b O1b . . 2.330(8) yes Ag3b O3b . 2_545 2.807(8) yes Ag3b O3a . 2_545 2.528(8) yes Ag3b O4a . 1_455 2.681(7) yes Ag3b O6b . 2_545 2.422(7) yes Ag3b O7a . 1_455 2.862(8) yes Ag3a O1a . . 2.854(8) yes Ag3a O3b . 2_645 2.509(7) yes Ag3a O4b . 1_655 2.752(7) yes Ag3a O5b . 2_645 2.724(8) yes Ag3a O6a . 2_645 2.481(7) yes Ag3a O7b . 1_655 2.481(8) yes Ag3a O8b . . 2.773(7) yes Ag4a O1a . . 2.242(7) yes Ag4a O3a . . 2.925(8) yes Ag4a O5a . . 2.930(7) yes Ag4a O6a . 2_645 2.620(8) yes Ag4a O10a . 3_655 2.251(7) yes Ag4a O14a . 1_565 2.907(7) yes Fe1 O2a . 2_645 1.991(7) yes Fe1 O3b . . 2.068(8) yes Fe1 O3a . . 2.099(8) yes Fe1 O2b . 2_545 1.982(8) yes Fe1 O5b . . 1.977(7) yes Fe1 O5a . . 1.975(8) yes Fe2a O7a . 2_645 1.985(8) yes Fe2a O8a . 3_645 1.998(8) yes Fe2a O9a . . 2.004(8) yes Fe2a O12b . 3_645 2.010(7) yes Fe2a O13b . . 2.014(8) yes Fe2a O14a . . 2.022(8) yes Fe2b O7b . 1_655 1.990(8) yes Fe2b O8b . . 2.014(8) yes Fe2b O9b . 3_755 2.015(7) yes Fe2b O12a . 3_655 1.984(7) yes Fe2b O13a . 1_565 2.006(8) yes Fe2b O14b . 1_655 2.023(8) yes P1a P2a . . 2.851(4) yes P1a O1a . . 1.516(8) yes P1a O2a . . 1.510(8) yes P1a O3a . . 1.531(8) yes P1a O4a . . 1.622(8) yes P1b P2b . . 2.844(4) yes P1b O1b . . 1.500(8) yes P1b O3b . . 1.531(8) yes P1b O2b . . 1.524(8) yes P1b O4b . . 1.621(8) yes P2a O4a . . 1.617(8) yes P2a O5b . . 1.534(8) yes P2a O6a . . 1.524(8) yes P2a O7a . . 1.515(8) yes P2b O4b . . 1.628(8) yes P2b O5a . . 1.547(8) yes P2b O6b . . 1.504(8) yes P2b O7b . . 1.524(8) yes P3a P4a . 3_655 2.951(4) yes P3a O8b . . 1.534(8) yes P3a O9a . . 1.535(8) yes P3a O10b . . 1.495(8) yes P3a O11a . 3_655 1.615(8) yes P3b P4b . . 2.938(4) yes P3b O8a . . 1.522(8) yes P3b O9b . . 1.521(8) yes P3b O10a . . 1.511(8) yes P3b O11b . . 1.602(8) yes P4a O11a . . 1.586(8) yes P4a O12a . . 1.532(8) yes P4a O13b . . 1.515(8) yes P4a O14b . . 1.513(8) yes P4b O11b . . 1.600(8) yes P4b O12b . . 1.536(8) yes P4b O13a . . 1.505(8) yes P4b O14a . . 1.528(8) yes O1a O2a . . 2.538(11) yes O1a O3a . . 2.549(11) yes O1a O4a . . 2.524(10) yes O1a O4b . 1_655 2.982(10) yes O1b O3b . . 2.541(11) yes O1b O2b . . 2.544(11) yes O1b O4a . 1_455 2.898(10) yes O1b O4b . . 2.509(11) yes O2a O3a . . 2.536(10) yes O2a O3a . 2_655 2.911(11) yes O2a O2b . 1_655 2.881(10) yes O2a O4a . . 2.481(11) yes O2a O4a . 2_655 2.860(10) yes O2a O5b . 2_655 2.806(11) yes O2a O5a . 2_655 2.848(10) yes O3b O3a . . 2.779(11) yes O3b O2b . . 2.535(10) yes O3b O2b . 2_545 2.932(11) yes O3b O4b . . 2.462(10) yes O3b O5b . . 2.860(10) yes O3b O5a . . 2.802(11) yes O3a O4a . . 2.477(10) yes O3a O5b . . 2.765(11) yes O3a O5a . . 2.845(11) yes O2b O4b . . 2.498(11) yes O2b O4b . 2_555 2.879(10) yes O2b O5b . 2_555 2.940(10) yes O2b O5a . 2_555 2.801(11) yes O4a O5b . . 2.538(10) yes O4a O6a . . 2.537(11) yes O4a O7a . . 2.442(11) yes O4b O5a . . 2.555(10) yes O4b O6b . . 2.535(11) yes O4b O7b . . 2.438(11) yes O5b O6a . . 2.520(11) yes O5b O7a . . 2.524(10) yes O5a O6b . . 2.537(11) yes O5a O7b . . 2.520(10) yes O6a O7a . . 2.576(11) yes O6b O7b . . 2.575(11) yes O7a O8a . 4_545 2.792(10) yes O7a O9a . 2_655 2.911(11) yes O7a O13b . 2_655 2.799(10) yes O7a O14a . 2_655 2.859(11) yes O7b O8b . 1_455 2.781(10) yes O7b O9b . 3_655 2.915(11) yes O7b O13a . 1_465 2.801(11) yes O7b O14b . . 2.836(11) yes O8b O9a . . 2.529(11) yes O8b O10b . . 2.551(11) yes O8b O11a . 3_655 2.498(10) yes O8b O12a . 3_655 2.812(11) yes O8b O13a . 1_565 2.837(12) yes O8b O14b . 1_655 2.916(11) yes O8a O9b . . 2.521(10) yes O8a O10a . . 2.525(11) yes O8a O11b . . 2.501(11) yes O8a O12b . . 2.779(11) yes O8a O13b . 3_645 2.877(11) yes O8a O14a . 3_645 2.880(10) yes O9a O10b . . 2.524(10) yes O9a O11a . 3_655 2.487(10) yes O9a O12b . 3_645 2.826(10) yes O9a O13b . . 2.704(10) yes O9a O14a . . 2.902(11) yes O9b O10a . . 2.517(10) yes O9b O11b . . 2.478(10) yes O9b O12a . 1_655 2.813(10) yes O9b O13a . 3_745 2.726(10) yes O9b O14b . 3_655 2.915(11) yes O10b O11a . 3_655 2.520(10) yes O10a O11b . . 2.519(10) yes O11a O11b . 3_655 2.782(11) yes O11a O12a . . 2.512(11) yes O11a O12a . 3_555 2.926(10) yes O11a O13b . . 2.521(10) yes O11a O14b . . 2.462(11) yes O11b O12b . . 2.522(11) yes O11b O12b . 3_645 2.944(10) yes O11b O13a . . 2.511(11) yes O11b O14a . . 2.494(11) yes O12a O13b . . 2.524(10) yes O12a O13a . 3_645 2.890(11) yes O12a O14b . . 2.536(11) yes O12a O14b . 3_555 2.794(10) yes O12b O13b . 3_645 2.884(11) yes O12b O13a . . 2.519(10) yes O12b O14a . . 2.559(11) yes O12b O14a . 3_645 2.821(10) yes O13b O14b . . 2.492(11) yes O13a O14a . . 2.494(11) yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O6a Ag1a O8b 2_645 . . 73.2(2) yes O6a Ag1a O9a 2_645 . . 77.7(3) yes O6a Ag1a O9a 2_645 . 3_655 159.9(2) yes O6a Ag1a O10a 2_645 . 3_655 78.8(2) yes O6a Ag1a O12b 2_645 . 1_565 136.8(2) yes O6a Ag1a O13b 2_645 . . 76.9(2) yes O8b Ag1a O9a . . . 59.0(2) yes O8b Ag1a O9a . . 3_655 113.5(2) yes O8b Ag1a O10a . . 3_655 137.7(2) yes O8b Ag1a O12b . . 1_565 79.4(2) yes O8b Ag1a O13b . . . 121.1(2) yes O9a Ag1a O9a . . 3_655 89.5(2) yes O9a Ag1a O10a . . 3_655 142.9(3) yes O9a Ag1a O12b . . 1_565 115.2(3) yes O9a Ag1a O13b . . . 65.7(2) yes O9a Ag1a O9a 3_655 . . 89.5(2) yes O9a Ag1a O10a 3_655 . 3_655 103.7(2) yes O9a Ag1a O12b 3_655 . 1_565 62.9(2) yes O9a Ag1a O13b 3_655 . . 83.7(2) yes O10a Ag1a O12b 3_655 . 1_565 101.5(3) yes O10a Ag1a O13b 3_655 . . 81.2(2) yes O12b Ag1a O13b 1_565 . . 146.3(2) yes O6b Ag1b O8a 3_655 . . 75.5(2) yes O6b Ag1b O9b 3_655 . . 79.2(2) yes O6b Ag1b O10b 3_655 . 3_745 84.6(3) yes O6b Ag1b O12a 3_655 . 3_645 143.3(2) yes O6b Ag1b O13a 3_655 . 3_745 78.2(2) yes O8a Ag1b O9b . . . 59.6(2) yes O8a Ag1b O10b . . 3_745 146.9(3) yes O8a Ag1b O12a . . 3_645 79.3(2) yes O8a Ag1b O13a . . 3_745 120.3(2) yes O9b Ag1b O10b . . 3_745 142.0(3) yes O9b Ag1b O12a . . 3_645 110.1(3) yes O9b Ag1b O13a . . 3_745 63.3(2) yes O10b Ag1b O12a 3_745 . 3_645 103.5(3) yes O10b Ag1b O13a 3_745 . 3_745 79.8(3) yes O12a Ag1b O13a 3_645 . 3_745 138.2(2) yes O1b Ag2b O5a 2_545 . . 88.2(3) yes O1b Ag2b O6a 2_545 . 2_645 115.8(3) yes O1b Ag2b O7b 2_545 . . 84.8(2) yes O1b Ag2b O10a 2_545 . 3_655 164.2(3) yes O1b Ag2b O13b 2_545 . . 122.3(3) yes O1b Ag2b O14b 2_545 . . 108.6(3) yes O5a Ag2b O6a . . 2_645 105.0(2) yes O5a Ag2b O7b . . . 53.5(2) yes O5a Ag2b O10a . . 3_655 76.2(2) yes O5a Ag2b O13b . . . 148.3(2) yes O5a Ag2b O14b . . . 110.3(2) yes O6a Ag2b O7b 2_645 . . 151.5(2) yes O6a Ag2b O10a 2_645 . 3_655 71.9(2) yes O6a Ag2b O13b 2_645 . . 71.2(2) yes O6a Ag2b O14b 2_645 . . 123.1(2) yes O7b Ag2b O10a . . 3_655 83.7(2) yes O7b Ag2b O13b . . . 115.8(2) yes O7b Ag2b O14b . . . 61.3(2) yes O10a Ag2b O13b 3_655 . . 72.8(2) yes O10a Ag2b O14b 3_655 . . 75.0(2) yes O13b Ag2b O14b . . . 55.2(2) yes O1a Ag2a O2b 2_645 . 2_545 76.4(2) yes O1a Ag2a O4b 2_645 . 2_545 65.3(2) yes O1a Ag2a O5b 2_645 . . 88.9(3) yes O1a Ag2a O6b 2_645 . 2_545 118.9(2) yes O1a Ag2a O10b 2_645 . 2_655 161.1(3) yes O1a Ag2a O13a 2_645 . 2_655 110.0(2) yes O1a Ag2a O14a 2_645 . 2_655 93.3(2) yes O2b Ag2a O4b 2_545 . 2_545 51.2(2) yes O2b Ag2a O5b 2_545 . . 67.4(2) yes O2b Ag2a O6b 2_545 . 2_545 69.0(2) yes O2b Ag2a O10b 2_545 . 2_655 112.6(2) yes O2b Ag2a O13a 2_545 . 2_655 139.9(2) yes O2b Ag2a O14a 2_545 . 2_655 166.3(2) yes O4b Ag2a O5b 2_545 . . 116.7(2) yes O4b Ag2a O6b 2_545 . 2_545 53.7(2) yes O4b Ag2a O10b 2_545 . 2_655 133.4(2) yes O4b Ag2a O13a 2_545 . 2_655 94.2(2) yes O4b Ag2a O14a 2_545 . 2_655 132.4(2) yes O5b Ag2a O6b . . 2_545 119.3(2) yes O5b Ag2a O10b . . 2_655 80.0(3) yes O5b Ag2a O13a . . 2_655 148.7(2) yes O5b Ag2a O14a . . 2_655 104.0(2) yes O6b Ag2a O10b 2_545 . 2_655 80.0(3) yes O6b Ag2a O13a 2_545 . 2_655 74.0(2) yes O6b Ag2a O14a 2_545 . 2_655 124.5(2) yes O10b Ag2a O13a 2_655 . 2_655 74.5(2) yes O10b Ag2a O14a 2_655 . 2_655 74.8(2) yes O13a Ag2a O14a 2_655 . 2_655 51.9(2) yes O1b Ag3b O3b . . 2_545 101.1(2) yes O1b Ag3b O3a . . 2_545 131.5(3) yes O1b Ag3b O4a . . 1_455 70.3(2) yes O1b Ag3b O6b . . 2_545 105.6(3) yes O1b Ag3b O7a . . 1_455 103.1(2) yes O3b Ag3b O3a 2_545 . 2_545 62.5(2) yes O3b Ag3b O4a 2_545 . 1_455 117.1(2) yes O3b Ag3b O6b 2_545 . 2_545 80.4(2) yes O3b Ag3b O7a 2_545 . 1_455 146.2(2) yes O3a Ag3b O4a 2_545 . 1_455 77.9(2) yes O3a Ag3b O6b 2_545 . 2_545 114.8(3) yes O3a Ag3b O7a 2_545 . 1_455 83.8(2) yes O4a Ag3b O6b 1_455 . 2_545 162.4(2) yes O4a Ag3b O7a 1_455 . 1_455 52.2(2) yes O6b Ag3b O7a 2_545 . 1_455 114.8(2) yes O1a Ag3a O3b . . 2_645 114.3(2) yes O1a Ag3a O4b . . 1_655 64.3(2) yes O1a Ag3a O5b . . 2_645 130.8(2) yes O1a Ag3a O6a . . 2_645 89.8(2) yes O1a Ag3a O7b . . 1_655 102.6(2) yes O1a Ag3a O8b . . . 123.1(2) yes O3b Ag3a O4b 2_645 . 1_655 75.5(2) yes O3b Ag3a O5b 2_645 . 2_645 66.1(2) yes O3b Ag3a O6a 2_645 . 2_645 120.2(3) yes O3b Ag3a O7b 2_645 . 1_655 93.3(2) yes O3b Ag3a O8b 2_645 . . 121.1(2) yes O4b Ag3a O5b 1_655 . 2_645 141.6(2) yes O4b Ag3a O6a 1_655 . 2_645 154.0(2) yes O4b Ag3a O7b 1_655 . 1_655 55.3(2) yes O4b Ag3a O8b 1_655 . . 117.6(2) yes O5b Ag3a O6a 2_645 . 2_645 57.7(2) yes O5b Ag3a O7b 2_645 . 1_655 126.6(2) yes O5b Ag3a O8b 2_645 . . 85.1(2) yes O6a Ag3a O7b 2_645 . 1_655 135.7(3) yes O6a Ag3a O8b 2_645 . . 74.0(2) yes O7b Ag3a O8b 1_655 . . 63.6(2) yes O1a Ag4a O3a . . . 57.3(2) yes O1a Ag4a O5a . . . 113.1(2) yes O1a Ag4a O6a . . 2_645 101.6(3) yes O1a Ag4a O10a . . 3_655 173.0(3) yes O1a Ag4a O14a . . 1_565 95.3(2) yes O3a Ag4a O5a . . . 58.2(2) yes O3a Ag4a O6a . . 2_645 121.8(2) yes O3a Ag4a O10a . . 3_655 128.4(2) yes O3a Ag4a O14a . . 1_565 121.5(2) yes O5a Ag4a O6a . . 2_645 97.3(2) yes O5a Ag4a O10a . . 3_655 73.7(2) yes O5a Ag4a O14a . . 1_565 133.0(2) yes O6a Ag4a O10a 2_645 . 3_655 78.9(2) yes O6a Ag4a O14a 2_645 . 1_565 113.3(2) yes O10a Ag4a O14a 3_655 . 1_565 78.2(2) yes O2a Fe1 O3b 2_645 . . 174.3(3) yes O2a Fe1 O3a 2_645 . . 90.7(3) yes O2a Fe1 O2b 2_645 . 2_545 92.9(3) yes O2a Fe1 O5b 2_645 . . 90 yes O2a Fe1 O5a 2_645 . . 91.8(3) yes O3b Fe1 O3a . . . 83.6(3) yes O3b Fe1 O2b . . 2_545 92.7(3) yes O3b Fe1 O5b . . . 89.9(3) yes O3b Fe1 O5a . . . 87.7(3) yes O3a Fe1 O2b . . 2_545 176.2(3) yes O3a Fe1 O5b . . . 85.3(3) yes O3a Fe1 O5a . . . 88.5(3) yes O2b Fe1 O5b 2_545 . . 95.9(3) yes O2b Fe1 O5a 2_545 . . 90.1(3) yes O5b Fe1 O5a . . . 173.6(3) yes O7a Fe2a O8a 2_645 . 3_645 89.0(3) yes O7a Fe2a O9a 2_645 . . 93.7(3) yes O7a Fe2a O12b 2_645 . 3_645 176.7(3) yes O7a Fe2a O13b 2_645 . . 88.8(3) yes O7a Fe2a O14a 2_645 . . 91.0(3) yes O8a Fe2a O9a 3_645 . . 175.3(3) yes O8a Fe2a O12b 3_645 . 3_645 87.8(3) yes O8a Fe2a O13b 3_645 . . 91.6(3) yes O8a Fe2a O14a 3_645 . . 91.5(3) yes O9a Fe2a O12b . . 3_645 89.5(3) yes O9a Fe2a O13b . . . 84.6(3) yes O9a Fe2a O14a . . . 92.3(3) yes O12b Fe2a O13b 3_645 . . 91.5(3) yes O12b Fe2a O14a 3_645 . . 88.8(3) yes O13b Fe2a O14a . . . 176.8(3) yes O7b Fe2b O8b 1_655 . . 88.0(3) yes O7b Fe2b O9b 1_655 . 3_755 93.4(3) yes O7b Fe2b O12a 1_655 . 3_655 176.8(3) yes O7b Fe2b O13a 1_655 . 1_565 89.0(3) yes O7b Fe2b O14b 1_655 . 1_655 89.9(3) yes O8b Fe2b O9b . . 3_755 174.9(3) yes O8b Fe2b O12a . . 3_655 89.4(3) yes O8b Fe2b O13a . . 1_565 89.8(3) yes O8b Fe2b O14b . . 1_655 92.5(3) yes O9b Fe2b O12a 3_755 . 3_655 89.4(3) yes O9b Fe2b O13a 3_755 . 1_565 85.4(3) yes O9b Fe2b O14b 3_755 . 1_655 92.4(3) yes O12a Fe2b O13a 3_655 . 1_565 92.8(3) yes O12a Fe2b O14b 3_655 . 1_655 88.4(3) yes O13a Fe2b O14b 1_565 . 1_655 177.5(3) yes P2a P1a O1a . . . 133.6(3) yes P2a P1a O2a . . . 96.6(3) yes P2a P1a O3a . . . 82.2(3) yes O1a P1a O2a . . . 114.0(4) yes O1a P1a O3a . . . 113.5(4) yes O1a P1a O4a . . . 107.0(4) yes O2a P1a O3a . . . 113.0(4) yes O2a P1a O4a . . . 104.7(4) yes O3a P1a O4a . . . 103.5(4) yes P2b P1b O1b . . . 134.4(3) yes P2b P1b O3b . . . 81.2(3) yes P2b P1b O2b . . . 95.9(3) yes O1b P1b O3b . . . 114.0(4) yes O1b P1b O2b . . . 114.5(5) yes O1b P1b O4b . . . 107.0(4) yes O3b P1b O2b . . . 112.2(4) yes O3b P1b O4b . . . 102.7(4) yes O2b P1b O4b . . . 105.2(4) yes P1a P2a O5b . . . 93.1(3) yes P1a P2a O6a . . . 91.1(3) yes P1a P2a O7a . . . 130.8(3) yes O4a P2a O5b . . . 107.3(4) yes O4a P2a O6a . . . 107.7(4) yes O4a P2a O7a . . . 102.4(4) yes O5b P2a O6a . . . 111.0(4) yes O5b P2a O7a . . . 111.7(4) yes O6a P2a O7a . . . 115.9(4) yes P1b P2b O5a . . . 95.1(3) yes P1b P2b O6b . . . 89.8(3) yes P1b P2b O7b . . . 130.1(3) yes O4b P2b O5a . . . 107.1(4) yes O4b P2b O6b . . . 108.0(4) yes O4b P2b O7b . . . 101.3(4) yes O5a P2b O6b . . . 112.6(4) yes O5a P2b O7b . . . 110.3(4) yes O6b P2b O7b . . . 116.5(4) yes P4a P3a O8b 3_655 . . 83.7(3) yes P4a P3a O9a 3_655 . . 105.6(3) yes P4a P3a O10b 3_655 . . 125.5(3) yes O8b P3a O9a . . . 111.0(4) yes O8b P3a O10b . . . 114.7(4) yes O8b P3a O11a . . 3_655 105.0(4) yes O9a P3a O10b . . . 112.8(5) yes O9a P3a O11a . . 3_655 104.3(4) yes O10b P3a O11a . . 3_655 108.2(4) yes P4b P3b O8a . . . 84.2(3) yes P4b P3b O9b . . . 107.4(3) yes P4b P3b O10a . . . 125.2(3) yes O8a P3b O9b . . . 111.9(4) yes O8a P3b O10a . . . 112.8(4) yes O8a P3b O11b . . . 106.4(4) yes O9b P3b O10a . . . 112.3(4) yes O9b P3b O11b . . . 105.0(4) yes O10a P3b O11b . . . 108.0(4) yes P3a P4a O12a 3_655 . . 89.5(3) yes P3a P4a O13b 3_655 . . 103.5(3) yes P3a P4a O14b 3_655 . . 126.7(3) yes O11a P4a O12a . . . 107.3(4) yes O11a P4a O13b . . . 108.7(4) yes O11a P4a O14b . . . 105.1(4) yes O12a P4a O13b . . . 111.8(4) yes O12a P4a O14b . . . 112.8(4) yes O13b P4a O14b . . . 110.7(4) yes P3b P4b O12b . . . 88.3(3) yes P3b P4b O13a . . . 103.3(3) yes P3b P4b O14a . . . 127.5(3) yes O11b P4b O12b . . . 107.0(4) yes O11b P4b O13a . . . 107.9(4) yes O11b P4b O14a . . . 105.8(4) yes O12b P4b O13a . . . 111.9(4) yes O12b P4b O14a . . . 113.3(4) yes O13a P4b O14a . . . 110.6(4) yes Ag2a O1a Ag3a 2_655 . . 90.0(2) yes Ag2a O1a Ag4a 2_655 . . 95.2(3) yes Ag2a O1a P1a 2_655 . . 125.4(4) yes Ag2a O1a O2a 2_655 . . 94.6(3) yes Ag2a O1a O3a 2_655 . . 128.3(4) yes Ag2a O1a O4a 2_655 . . 146.5(4) yes Ag2a O1a O4b 2_655 . 1_655 65.4(2) yes Ag3a O1a Ag4a . . . 79.5(2) yes Ag3a O1a P1a . . . 141.5(4) yes Ag3a O1a O2a . . . 150.8(3) yes Ag3a O1a O3a . . . 135.0(3) yes Ag3a O1a O4a . . . 104.2(3) yes Ag3a O1a O4b . . 1_655 56.2(2) yes Ag4a O1a P1a . . . 108.3(4) yes Ag4a O1a O2a . . . 128.6(4) yes Ag4a O1a O3a . . . 74.9(3) yes Ag4a O1a O4a . . . 116.9(4) yes Ag4a O1a O4b . . 1_655 129.8(3) yes P1a O1a O4b . . 1_655 120.8(4) yes O2a O1a O3a . . . 59.8(3) yes O2a O1a O4a . . . 58.7(3) yes O2a O1a O4b . . 1_655 100.0(3) yes O3a O1a O4a . . . 58.4(3) yes O3a O1a O4b . . 1_655 153.7(4) yes O4a O1a O4b . . 1_655 97.5(3) yes Ag2b O1b Ag3b 2_555 . . 96.6(3) yes Ag2b O1b P1b 2_555 . . 129.7(5) yes Ag2b O1b O3b 2_555 . . 124.8(4) yes Ag2b O1b O2b 2_555 . . 101.3(3) yes Ag2b O1b O4a 2_555 . 1_455 70.0(2) yes Ag2b O1b O4b 2_555 . . 157.2(4) yes Ag3b O1b P1b . . . 133.0(5) yes Ag3b O1b O3b . . . 128.4(4) yes Ag3b O1b O2b . . . 146.8(4) yes Ag3b O1b O4a . . 1_455 60.5(2) yes Ag3b O1b O4b . . . 95.8(3) yes P1b O1b O4a . . 1_455 122.0(4) yes O3b O1b O2b . . . 59.8(3) yes O3b O1b O4a . . 1_455 155.2(4) yes O3b O1b O4b . . . 58.4(3) yes O2b O1b O4a . . 1_455 99.8(3) yes O2b O1b O4b . . . 59.2(3) yes O4a O1b O4b 1_455 . . 100.0(3) yes Fe1 O2a P1a 2_655 . . 141.3(5) yes Fe1 O2a O1a 2_655 . . 108.2(3) yes Fe1 O2a O3a 2_655 . . 150.0(4) yes Fe1 O2a O3a 2_655 . 2_655 46.1(2) yes Fe1 O2a O4a 2_655 . . 142.9(4) yes Fe1 O2a O4a 2_655 . 2_655 82.1(3) yes P1a O2a O3a . . 2_655 152.5(4) yes P1a O2a O2b . . 1_655 104.0(4) yes P1a O2a O4a . . 2_655 101.7(4) yes P1a O2a O5b . . 2_655 107.5(4) yes P1a O2a O5a . . 2_655 148.0(4) yes O1a O2a O3a . . . 60.3(3) yes O1a O2a O3a . . 2_655 139.0(4) yes O1a O2a O2b . . 1_655 73.9(3) yes O1a O2a O4a . . . 60.4(3) yes O1a O2a O4a . . 2_655 102.4(3) yes O1a O2a O5b . . 2_655 81.5(3) yes O1a O2a O5a . . 2_655 130.2(4) yes O3a O2a O3a . . 2_655 122.5(3) yes O3a O2a O2b . . 1_655 134.1(4) yes O3a O2a O4a . . . 59.2(3) yes O3a O2a O4a . . 2_655 74.5(3) yes O3a O2a O5b . . 2_655 105.3(3) yes O3a O2a O5a . . 2_655 164.5(4) yes O3a O2a O3a 2_655 . . 122.5(3) yes O3a O2a O2b 2_655 . 1_655 89.5(3) yes O3a O2a O4a 2_655 . . 160.4(4) yes O3a O2a O4a 2_655 . 2_655 50.8(2) yes O3a O2a O5b 2_655 . 2_655 57.8(3) yes O3a O2a O5a 2_655 . 2_655 59.2(3) yes O2b O2a O4a 1_655 . . 101.9(3) yes O2b O2a O4a 1_655 . 2_655 114.9(3) yes O2b O2a O5b 1_655 . 2_655 62.2(3) yes O2b O2a O5a 1_655 . 2_655 58.5(3) yes O4a O2a O4a . . 2_655 133.4(4) yes O4a O2a O5b . . 2_655 141.8(4) yes O4a O2a O5a . . 2_655 113.5(3) yes O4a O2a O4a 2_655 . . 133.4(4) yes O4a O2a O5b 2_655 . 2_655 53.2(2) yes O4a O2a O5a 2_655 . 2_655 109.9(3) yes O5b O2a O5a 2_655 . 2_655 88.5(3) yes Ag3b O3b Ag3a 2_555 . 2_655 94.7(2) yes Ag3b O3b Fe1 2_555 . . 91.2(3) yes Ag3b O3b P1b 2_555 . . 106.4(4) yes Ag3b O3b O1b 2_555 . . 138.3(3) yes Ag3b O3b O3a 2_555 . . 53.8(2) yes Ag3b O3b O2b 2_555 . . 79.2(3) yes Ag3b O3b O2b 2_555 . 2_545 123.3(3) yes Ag3b O3b O4b 2_555 . . 93.1(3) yes Ag3b O3b O5b 2_555 . . 112.3(3) yes Ag3b O3b O5a 2_555 . . 65.4(2) yes Ag3a O3b Fe1 2_655 . . 99.4(3) yes Ag3a O3b P1b 2_655 . . 128.3(4) yes Ag3a O3b O1b 2_655 . . 108.1(3) yes Ag3a O3b O3a 2_655 . . 73.8(2) yes Ag3a O3b O2b 2_655 . . 112.4(3) yes Ag3a O3b O2b 2_655 . 2_545 118.6(3) yes Ag3a O3b O4b 2_655 . . 167.8(4) yes Ag3a O3b O5b 2_655 . . 60.6(2) yes Ag3a O3b O5a 2_655 . . 134.5(3) yes Fe1 O3b P1b . . . 126.0(5) yes Fe1 O3b O1b . . . 117.8(4) yes Fe1 O3b O3a . . . 48.7(2) yes Fe1 O3b O2b . . . 147.3(4) yes Fe1 O3b O4b . . . 89.9(3) yes P1b O3b O3a . . . 154.4(5) yes P1b O3b O2b . . 2_545 88.1(4) yes P1b O3b O5b . . . 139.5(5) yes P1b O3b O5a . . . 97.1(4) yes O1b O3b O3a . . . 165.8(4) yes O1b O3b O2b . . . 60.1(3) yes O1b O3b O2b . . 2_545 75.5(3) yes O1b O3b O4b . . . 60.2(3) yes O1b O3b O5b . . . 109.3(3) yes O1b O3b O5a . . . 113.6(4) yes O3a O3b O2b . . . 132.9(4) yes O3a O3b O2b . . 2_545 91.1(3) yes O3a O3b O4b . . . 118.4(4) yes O3a O3b O5b . . . 58.7(3) yes O3a O3b O5a . . . 61.3(3) yes O2b O3b O2b . . 2_545 120.1(3) yes O2b O3b O4b . . . 60.0(3) yes O2b O3b O5b . . . 166.2(4) yes O2b O3b O5a . . . 103.8(3) yes O2b O3b O2b 2_545 . . 120.1(3) yes O2b O3b O4b 2_545 . . 63.8(3) yes O2b O3b O5b 2_545 . . 61.0(3) yes O2b O3b O5a 2_545 . . 58.4(3) yes O4b O3b O5b . . . 124.5(4) yes O4b O3b O5a . . . 57.6(3) yes O5b O3b O5a . . . 88.4(3) yes Ag3b O3a Ag4a 2_555 . . 89.3(2) yes Ag3b O3a Fe1 2_555 . . 98.7(3) yes Ag3b O3a P1a 2_555 . . 133.9(5) yes Ag3b O3a O1a 2_555 . . 119.9(4) yes Ag3b O3a O2a 2_555 . . 110.4(3) yes Ag3b O3a O2a 2_555 . 2_645 127.6(3) yes Ag3b O3a O3b 2_555 . . 63.7(2) yes Ag3b O3a O4a 2_555 . . 168.9(4) yes Ag3b O3a O5b 2_555 . . 125.4(3) yes Ag3b O3a O5a 2_555 . . 68.4(2) yes Ag4a O3a Fe1 . . . 91.5(3) yes Ag4a O3a P1a . . . 80.8(3) yes Ag4a O3a O1a . . . 47.7(2) yes Ag4a O3a O2a . . . 104.0(3) yes Ag4a O3a O2a . . 2_645 64.1(2) yes Ag4a O3a O3b . . . 120.4(3) yes Ag4a O3a O4a . . . 97.3(3) yes Ag4a O3a O5b . . . 123.3(3) yes Ag4a O3a O5a . . . 61.0(2) yes Fe1 O3a P1a . . . 126.3(5) yes Fe1 O3a O1a . . . 118.3(4) yes Fe1 O3a O2a . . . 147.0(4) yes Fe1 O3a O3b . . . 47.7(2) yes Fe1 O3a O4a . . . 90.2(3) yes Fe1 O3a O5b . . . 45.5(2) yes P1a O3a O2a . . 2_645 87.7(4) yes P1a O3a O3b . . . 155.4(5) yes P1a O3a O5b . . . 96.6(4) yes P1a O3a O5a . . . 137.0(5) yes O1a O3a O2a . . . 59.9(3) yes O1a O3a O2a . . 2_645 75.4(3) yes O1a O3a O3b . . . 164.8(4) yes O1a O3a O4a . . . 60.3(3) yes O1a O3a O5b . . . 114.0(4) yes O1a O3a O5a . . . 106.7(4) yes O2a O3a O2a . . 2_645 119.2(3) yes O2a O3a O3b . . . 134.5(4) yes O2a O3a O4a . . . 59.3(3) yes O2a O3a O5b . . . 102.8(3) yes O2a O3a O5a . . . 164.6(4) yes O2a O3a O2a 2_645 . . 119.2(3) yes O2a O3a O3b 2_645 . . 90.9(3) yes O2a O3a O4a 2_645 . . 63.5(3) yes O2a O3a O5b 2_645 . . 59.2(3) yes O2a O3a O5a 2_645 . . 59.3(3) yes O3b O3a O4a . . . 119.5(4) yes O3b O3a O5b . . . 62.1(3) yes O3b O3a O5a . . . 59.7(3) yes O4a O3a O5b . . . 57.6(3) yes O4a O3a O5a . . . 122.7(4) yes O5b O3a O5a . . . 89.4(3) yes Ag2a O2b Fe1 2_555 . 2_555 92.0(3) yes Ag2a O2b P1b 2_555 . . 106.9(4) yes Ag2a O2b O1b 2_555 . . 113.9(3) yes Ag2a O2b O2a 2_555 . 1_455 81.4(2) yes Ag2a O2b O3b 2_555 . . 120.5(3) yes Ag2a O2b O3b 2_555 . 2_555 102.1(3) yes Ag2a O2b O4b 2_555 . . 68.6(2) yes Ag2a O2b O4b 2_555 . 2_555 145.7(3) yes Ag2a O2b O5b 2_555 . 2_555 51.7(2) yes Ag2a O2b O5a 2_555 . 2_555 135.4(3) yes Fe1 O2b P1b 2_555 . . 140.6(5) yes Fe1 O2b O1b 2_555 . . 108.3(4) yes Fe1 O2b O3b 2_555 . . 147.5(4) yes Fe1 O2b O4b 2_555 . . 145.7(4) yes Fe1 O2b O4b 2_555 . 2_555 80.5(3) yes P1b O2b O2a . . 1_455 104.3(4) yes P1b O2b O3b . . 2_555 149.7(4) yes P1b O2b O4b . . 2_555 99.7(4) yes P1b O2b O5b . . 2_555 151.0(4) yes P1b O2b O5a . . 2_555 104.1(4) yes O1b O2b O2a . . 1_455 74.3(3) yes O1b O2b O3b . . . 60.1(3) yes O1b O2b O3b . . 2_555 136.6(4) yes O1b O2b O4b . . . 59.7(3) yes O1b O2b O4b . . 2_555 100.2(3) yes O1b O2b O5b . . 2_555 130.5(4) yes O1b O2b O5a . . 2_555 78.6(3) yes O2a O2b O3b 1_455 . . 134.1(4) yes O2a O2b O3b 1_455 . 2_555 88.5(3) yes O2a O2b O4b 1_455 . . 103.7(3) yes O2a O2b O4b 1_455 . 2_555 112.9(3) yes O2a O2b O5b 1_455 . 2_555 57.6(2) yes O2a O2b O5a 1_455 . 2_555 60.1(3) yes O3b O2b O3b . . 2_555 120.5(3) yes O3b O2b O4b . . . 58.6(3) yes O3b O2b O4b . . 2_555 72.9(3) yes O3b O2b O5b . . 2_555 167.5(4) yes O3b O2b O5a . . 2_555 103.1(3) yes O3b O2b O3b 2_555 . . 120.5(3) yes O3b O2b O4b 2_555 . . 162.9(4) yes O3b O2b O4b 2_555 . 2_555 50.1(2) yes O3b O2b O5b 2_555 . 2_555 58.3(3) yes O3b O2b O5a 2_555 . 2_555 58.5(3) yes O4b O2b O4b . . 2_555 131.3(4) yes O4b O2b O5b . . 2_555 118.3(3) yes O4b O2b O5a . . 2_555 138.3(4) yes O4b O2b O4b 2_555 . . 131.3(4) yes O4b O2b O5b 2_555 . 2_555 108.2(3) yes O4b O2b O5a 2_555 . 2_555 53.4(2) yes O5b O2b O5a 2_555 . 2_555 86.8(3) yes Ag3b O4a P1a 1_655 . . 131.3(4) yes Ag3b O4a P2a 1_655 . . 104.7(3) yes Ag3b O4a O1a 1_655 . . 99.1(3) yes Ag3b O4a O1b 1_655 . 1_655 49.2(2) yes Ag3b O4a O2a 1_655 . . 124.0(3) yes Ag3b O4a O2a 1_655 . 2_645 97.2(3) yes Ag3b O4a O3a 1_655 . . 155.7(4) yes Ag3b O4a O5b 1_655 . . 122.0(3) yes Ag3b O4a O6a 1_655 . . 116.4(3) yes Ag3b O4a O7a 1_655 . . 67.8(3) yes P1a O4a P2a . . . 123.4(5) yes P1a O4a O1b . . 1_655 93.8(4) yes P1a O4a O2a . . 2_645 87.9(3) yes P1a O4a O5b . . . 103.3(4) yes P1a O4a O6a . . . 100.9(4) yes P1a O4a O7a . . . 160.6(5) yes P2a O4a O1a . . . 155.2(4) yes P2a O4a O1b . . 1_655 122.7(4) yes P2a O4a O2a . . . 109.1(4) yes P2a O4a O2a . . 2_645 93.4(4) yes P2a O4a O3a . . . 93.9(4) yes O1a O4a O1b . . 1_655 78.5(3) yes O1a O4a O2a . . . 60.9(3) yes O1a O4a O2a . . 2_645 76.7(3) yes O1a O4a O3a . . . 61.3(3) yes O1a O4a O5b . . . 123.5(4) yes O1a O4a O6a . . . 135.0(4) yes O1a O4a O7a . . . 162.7(4) yes O1b O4a O2a 1_655 . . 74.9(3) yes O1b O4a O2a 1_655 . 2_645 133.4(3) yes O1b O4a O3a 1_655 . . 130.7(4) yes O1b O4a O5b 1_655 . . 157.8(4) yes O1b O4a O6a 1_655 . . 103.7(3) yes O1b O4a O7a 1_655 . . 99.3(3) yes O2a O4a O2a . . 2_645 123.2(3) yes O2a O4a O3a . . . 61.5(3) yes O2a O4a O5b . . . 111.3(4) yes O2a O4a O6a . . . 76.1(3) yes O2a O4a O7a . . . 135.5(4) yes O2a O4a O2a 2_645 . . 123.2(3) yes O2a O4a O3a 2_645 . . 65.7(3) yes O2a O4a O5b 2_645 . . 62.3(3) yes O2a O4a O6a 2_645 . . 121.7(4) yes O2a O4a O7a 2_645 . . 93.3(3) yes O3a O4a O5b . . . 66.9(3) yes O3a O4a O6a . . . 87.9(3) yes O3a O4a O7a . . . 127.5(4) yes O5b O4a O6a . . . 59.5(3) yes O5b O4a O7a . . . 60.9(3) yes O6a O4a O7a . . . 62.3(3) yes Ag2a O4b Ag3a 2_555 . 1_455 82.59(19) yes Ag2a O4b P1b 2_555 . . 95.9(3) yes Ag2a O4b P2b 2_555 . . 80.5(3) yes Ag2a O4b O1a 2_555 . 1_455 49.33(18) yes Ag2a O4b O1b 2_555 . . 108.5(3) yes Ag2a O4b O3b 2_555 . . 115.7(3) yes Ag2a O4b O2b 2_555 . . 60.2(2) yes Ag2a O4b O2b 2_555 . 2_545 174.5(3) yes Ag2a O4b O5a 2_555 . . 113.6(3) yes Ag2a O4b O6b 2_555 . . 55.0(2) yes Ag2a O4b O7b 2_555 . . 79.5(3) yes Ag3a O4b P1b 1_455 . . 142.7(4) yes Ag3a O4b P2b 1_455 . . 94.5(3) yes Ag3a O4b O1a 1_455 . 1_455 59.5(2) yes Ag3a O4b O1b 1_455 . . 110.4(3) yes Ag3a O4b O3b 1_455 . . 161.3(4) yes Ag3a O4b O2b 1_455 . . 131.7(3) yes Ag3a O4b O2b 1_455 . 2_545 96.2(3) yes Ag3a O4b O5a 1_455 . . 110.0(3) yes Ag3a O4b O6b 1_455 . . 110.0(3) yes Ag3a O4b O7b 1_455 . . 56.7(2) yes P1b O4b P2b . . . 122.2(5) yes P1b O4b O1a . . 1_455 91.4(3) yes P1b O4b O2b . . 2_545 88.3(3) yes P1b O4b O5a . . . 104.7(4) yes P1b O4b O6b . . . 98.8(4) yes P1b O4b O7b . . . 159.8(5) yes P2b O4b O1a . . 1_455 123.4(4) yes P2b O4b O1b . . . 154.2(4) yes P2b O4b O3b . . . 92.8(4) yes P2b O4b O2b . . . 107.3(4) yes P2b O4b O2b . . 2_545 94.2(3) yes O1a O4b O1b 1_455 . . 77.1(3) yes O1a O4b O3b 1_455 . . 128.5(4) yes O1a O4b O2b 1_455 . . 72.6(3) yes O1a O4b O2b 1_455 . 2_545 134.3(3) yes O1a O4b O5a 1_455 . . 158.5(4) yes O1a O4b O6b 1_455 . . 104.2(3) yes O1a O4b O7b 1_455 . . 100.1(3) yes O1b O4b O3b . . . 61.5(3) yes O1b O4b O2b . . . 61.1(3) yes O1b O4b O2b . . 2_545 77.0(3) yes O1b O4b O5a . . . 124.1(4) yes O1b O4b O6b . . . 132.9(4) yes O1b O4b O7b . . . 164.7(4) yes O3b O4b O2b . . . 61.5(3) yes O3b O4b O2b . . 2_545 66.1(3) yes O3b O4b O5a . . . 67.9(3) yes O3b O4b O6b . . . 85.3(3) yes O3b O4b O7b . . . 127.7(4) yes O2b O4b O2b . . 2_545 123.6(4) yes O2b O4b O5a . . . 112.6(4) yes O2b O4b O6b . . . 74.3(3) yes O2b O4b O7b . . . 132.9(4) yes O2b O4b O2b 2_545 . . 123.6(4) yes O2b O4b O5a 2_545 . . 61.7(3) yes O2b O4b O6b 2_545 . . 121.0(3) yes O2b O4b O7b 2_545 . . 95.3(3) yes O5a O4b O6b . . . 59.8(3) yes O5a O4b O7b . . . 60.6(3) yes O6b O4b O7b . . . 62.3(3) yes Ag2a O5b Ag3a . . 2_655 131.5(3) yes Ag2a O5b Fe1 . . . 101.1(3) yes Ag2a O5b P2a . . . 113.4(4) yes Ag2a O5b O2a . . 2_645 88.1(3) yes Ag2a O5b O3b . . . 111.9(3) yes Ag2a O5b O3a . . . 148.1(4) yes Ag2a O5b O2b . . 2_545 60.9(2) yes Ag2a O5b O4a . . . 125.7(4) yes Ag2a O5b O6a . . . 128.0(3) yes Ag2a O5b O7a . . . 79.7(3) yes Ag3a O5b Fe1 2_655 . . 95.0(3) yes Ag3a O5b P2a 2_655 . . 89.8(4) yes Ag3a O5b O2a 2_655 . 2_645 132.3(3) yes Ag3a O5b O3b 2_655 . . 53.3(2) yes Ag3a O5b O3a 2_655 . . 70.8(3) yes Ag3a O5b O2b 2_655 . 2_545 111.6(3) yes Ag3a O5b O4a 2_655 . . 99.0(3) yes Ag3a O5b O6a 2_655 . . 56.3(2) yes Ag3a O5b O7a 2_655 . . 116.4(3) yes Fe1 O5b P2a . . . 128.4(5) yes Fe1 O5b O2a . . 2_645 45.2(2) yes Fe1 O5b O3b . . . 46.3(2) yes Fe1 O5b O3a . . . 49.2(2) yes Fe1 O5b O4a . . . 91.3(3) yes Fe1 O5b O6a . . . 130.8(4) yes Fe1 O5b O7a . . . 137.5(4) yes P2a O5b O2a . . 2_645 97.5(4) yes P2a O5b O3b . . . 134.0(5) yes P2a O5b O3a . . . 85.2(4) yes P2a O5b O2b . . 2_545 155.9(5) yes O2a O5b O3b 2_645 . . 91.4(3) yes O2a O5b O3a 2_645 . . 63.0(3) yes O2a O5b O2b 2_645 . 2_545 60.1(3) yes O2a O5b O4a 2_645 . . 64.5(3) yes O2a O5b O6a 2_645 . . 124.5(4) yes O2a O5b O7a 2_645 . . 92.8(3) yes O3b O5b O3a . . . 59.2(3) yes O3b O5b O2b . . 2_545 60.7(3) yes O3b O5b O4a . . . 114.4(4) yes O3b O5b O6a . . . 106.9(4) yes O3b O5b O7a . . . 167.8(4) yes O3a O5b O2b . . 2_545 91.3(3) yes O3a O5b O4a . . . 55.5(3) yes O3a O5b O6a . . . 82.2(3) yes O3a O5b O7a . . . 113.0(4) yes O2b O5b O4a 2_545 . . 124.0(4) yes O2b O5b O6a 2_545 . . 167.6(4) yes O2b O5b O7a 2_545 . . 131.0(4) yes O4a O5b O6a . . . 60.2(3) yes O4a O5b O7a . . . 57.7(3) yes O6a O5b O7a . . . 61.4(3) yes Ag2b O5a Ag4a . . . 72.87(19) yes Ag2b O5a Fe1 . . . 111.0(3) yes Ag2b O5a P2b . . . 106.7(4) yes Ag2b O5a O2a . . 2_645 70.7(2) yes Ag2b O5a O3b . . . 152.6(4) yes Ag2b O5a O3a . . . 123.4(3) yes Ag2b O5a O2b . . 2_545 89.7(3) yes Ag2b O5a O4b . . . 118.7(3) yes Ag2b O5a O6b . . . 123.1(3) yes Ag2b O5a O7b . . . 72.3(3) yes Ag4a O5a Fe1 . . . 93.9(3) yes Ag4a O5a P2b . . . 134.4(4) yes Ag4a O5a O2a . . 2_645 64.9(2) yes Ag4a O5a O3b . . . 119.4(3) yes Ag4a O5a O3a . . . 60.8(2) yes Ag4a O5a O2b . . 2_545 126.2(3) yes Ag4a O5a O4b . . . 165.7(4) yes Ag4a O5a O6b . . . 107.6(3) yes Ag4a O5a O7b . . . 124.4(3) yes Fe1 O5a P2b . . . 125.7(5) yes Fe1 O5a O3b . . . 47.5(2) yes Fe1 O5a O3a . . . 47.5(2) yes Fe1 O5a O2b . . 2_545 45.0(2) yes Fe1 O5a O4b . . . 89.4(3) yes Fe1 O5a O6b . . . 125.3(4) yes Fe1 O5a O7b . . . 138.9(4) yes P2b O5a O2a . . 2_645 160.0(5) yes P2b O5a O3b . . . 82.4(4) yes P2b O5a O3a . . . 128.5(5) yes P2b O5a O2b . . 2_545 99.2(4) yes O2a O5a O3b 2_645 . . 91.7(3) yes O2a O5a O3a 2_645 . . 61.5(3) yes O2a O5a O2b 2_645 . 2_545 61.3(3) yes O2a O5a O4b 2_645 . . 125.2(4) yes O2a O5a O6b 2_645 . . 162.9(4) yes O2a O5a O7b 2_645 . . 135.9(4) yes O3b O5a O3a . . . 58.9(3) yes O3b O5a O2b . . 2_545 63.1(3) yes O3b O5a O4b . . . 54.5(3) yes O3b O5a O6b . . . 78.6(3) yes O3b O5a O7b . . . 111.4(3) yes O3a O5a O2b . . 2_545 92.5(3) yes O3a O5a O4b . . . 113.0(4) yes O3a O5a O6b . . . 101.4(3) yes O3a O5a O7b . . . 162.4(4) yes O2b O5a O4b 2_545 . . 64.8(3) yes O2b O5a O6b 2_545 . . 124.0(4) yes O2b O5a O7b 2_545 . . 95.5(3) yes O4b O5a O6b . . . 59.7(3) yes O4b O5a O7b . . . 57.4(3) yes O6b O5a O7b . . . 61.2(3) yes Ag1a O6a Ag2b 2_655 . 2_655 87.4(2) yes Ag1a O6a Ag3a 2_655 . 2_655 103.9(3) yes Ag1a O6a Ag4a 2_655 . 2_655 76.9(2) yes Ag1a O6a P2a 2_655 . . 129.1(4) yes Ag1a O6a O4a 2_655 . . 149.4(4) yes Ag1a O6a O5b 2_655 . . 128.2(4) yes Ag1a O6a O7a 2_655 . . 99.5(3) yes Ag2b O6a Ag3a 2_655 . 2_655 150.0(3) yes Ag2b O6a Ag4a 2_655 . 2_655 75.3(2) yes Ag2b O6a P2a 2_655 . . 94.0(4) yes Ag2b O6a O4a 2_655 . . 70.4(3) yes Ag2b O6a O5b 2_655 . . 127.6(4) yes Ag2b O6a O7a 2_655 . . 80.2(3) yes Ag3a O6a Ag4a 2_655 . 2_655 80.3(2) yes Ag3a O6a P2a 2_655 . . 99.6(4) yes Ag3a O6a O4a 2_655 . . 105.8(3) yes Ag3a O6a O5b 2_655 . . 66.0(3) yes Ag3a O6a O7a 2_655 . . 123.8(3) yes Ag4a O6a P2a 2_655 . . 152.1(5) yes Ag4a O6a O4a 2_655 . . 115.5(3) yes Ag4a O6a O5b 2_655 . . 141.2(4) yes Ag4a O6a O7a 2_655 . . 155.4(4) yes O4a O6a O5b . . . 60.2(3) yes O4a O6a O7a . . . 57.1(3) yes O5b O6a O7a . . . 59.4(3) yes Ag1b O6b Ag2a 3_655 . 2_555 84.9(2) yes Ag1b O6b Ag3b 3_655 . 2_555 110.2(3) yes Ag1b O6b P2b 3_655 . . 131.5(4) yes Ag1b O6b O4b 3_655 . . 148.2(4) yes Ag1b O6b O5a 3_655 . . 131.9(4) yes Ag1b O6b O7b 3_655 . . 101.2(3) yes Ag2a O6b Ag3b 2_555 . 2_555 128.6(3) yes Ag2a O6b P2b 2_555 . . 97.8(4) yes Ag2a O6b O4b 2_555 . . 71.4(3) yes Ag2a O6b O5a 2_555 . . 130.3(3) yes Ag2a O6b O7b 2_555 . . 85.3(3) yes Ag3b O6b P2b 2_555 . . 105.4(4) yes Ag3b O6b O4b 2_555 . . 101.2(3) yes Ag3b O6b O5a 2_555 . . 75.3(3) yes Ag3b O6b O7b 2_555 . . 134.4(3) yes O4b O6b O5a . . . 60.5(3) yes O4b O6b O7b . . . 57.0(3) yes O5a O6b O7b . . . 59.1(3) yes Ag3b O7a Fe2a 1_655 . 2_655 117.3(3) yes Ag3b O7a P2a 1_655 . . 100.1(4) yes Ag3b O7a O4a 1_655 . . 60.1(2) yes Ag3b O7a O5b 1_655 . . 115.7(3) yes Ag3b O7a O6a 1_655 . . 109.1(3) yes Ag3b O7a O8a 1_655 . 4_545 73.9(2) yes Ag3b O7a O9a 1_655 . 2_655 152.9(3) yes Ag3b O7a O13b 1_655 . 2_655 96.6(3) yes Ag3b O7a O14a 1_655 . 2_655 123.8(3) yes Fe2a O7a P2a 2_655 . . 132.8(5) yes Fe2a O7a O4a 2_655 . . 158.3(4) yes Fe2a O7a O5b 2_655 . . 126.9(4) yes Fe2a O7a O6a 2_655 . . 104.4(4) yes Fe2a O7a O8a 2_655 . 4_545 45.7(2) yes Fe2a O7a O13b 2_655 . 2_655 46.0(2) yes Fe2a O7a O14a 2_655 . 2_655 45.0(2) yes P2a O7a O8a . . 4_545 164.3(5) yes P2a O7a O9a . . 2_655 90.8(4) yes P2a O7a O13b . . 2_655 105.3(4) yes P2a O7a O14a . . 2_655 131.2(4) yes O4a O7a O5b . . . 61.4(3) yes O4a O7a O6a . . . 60.7(3) yes O4a O7a O8a . . 4_545 133.1(4) yes O4a O7a O9a . . 2_655 128.7(4) yes O4a O7a O13b . . 2_655 112.3(4) yes O4a O7a O14a . . 2_655 156.3(4) yes O5b O7a O6a . . . 59.2(3) yes O5b O7a O8a . . 4_545 161.1(4) yes O5b O7a O9a . . 2_655 87.0(3) yes O5b O7a O13b . . 2_655 128.9(4) yes O5b O7a O14a . . 2_655 101.0(3) yes O6a O7a O8a . . 4_545 135.4(4) yes O6a O7a O9a . . 2_655 68.7(3) yes O6a O7a O13b . . 2_655 73.6(3) yes O6a O7a O14a . . 2_655 126.3(4) yes O8a O7a O9a 4_545 . 2_655 89.0(3) yes O8a O7a O13b 4_545 . 2_655 62.0(3) yes O8a O7a O14a 4_545 . 2_655 61.3(3) yes O9a O7a O13b 2_655 . 2_655 56.5(3) yes O9a O7a O14a 2_655 . 2_655 60.4(3) yes O13b O7a O14a 2_655 . 2_655 91.0(3) yes Ag2b O7b Ag3a . . 1_455 120.5(3) yes Ag2b O7b Fe2b . . 1_455 94.4(3) yes Ag2b O7b P2b . . . 89.1(3) yes Ag2b O7b O4b . . . 107.4(3) yes Ag2b O7b O5a . . . 54.1(2) yes Ag2b O7b O6b . . . 106.6(3) yes Ag2b O7b O8b . . 1_455 107.5(3) yes Ag2b O7b O9b . . 3_655 82.9(2) yes Ag2b O7b O13a . . 1_465 136.5(3) yes Ag2b O7b O14b . . . 51.4(2) yes Ag3a O7b Fe2b 1_455 . 1_455 108.3(3) yes Ag3a O7b P2b 1_455 . . 108.8(4) yes Ag3a O7b O4b 1_455 . . 68.0(3) yes Ag3a O7b O5a 1_455 . . 120.8(3) yes Ag3a O7b O6b 1_455 . . 118.0(3) yes Ag3a O7b O8b 1_455 . 1_455 63.3(2) yes Ag3a O7b O9b 1_455 . 3_655 147.8(3) yes Ag3a O7b O13a 1_455 . 1_465 92.9(3) yes Ag3a O7b O14b 1_455 . . 114.5(3) yes Fe2b O7b P2b 1_455 . . 134.2(5) yes Fe2b O7b O4b 1_455 . . 156.6(4) yes Fe2b O7b O5a 1_455 . . 130.1(4) yes Fe2b O7b O6b 1_455 . . 105.5(4) yes Fe2b O7b O8b 1_455 . 1_455 46.4(2) yes Fe2b O7b O13a 1_455 . 1_465 45.7(2) yes Fe2b O7b O14b 1_455 . . 45.5(2) yes P2b O7b O8b . . 1_455 163.4(5) yes P2b O7b O9b . . 3_655 92.0(4) yes P2b O7b O13a . . 1_465 106.6(4) yes P2b O7b O14b . . . 132.0(4) yes O4b O7b O5a . . . 62.0(3) yes O4b O7b O6b . . . 60.7(3) yes O4b O7b O8b . . 1_455 129.7(4) yes O4b O7b O9b . . 3_655 129.5(4) yes O4b O7b O13a . . 1_465 110.9(4) yes O4b O7b O14b . . . 157.8(4) yes O5a O7b O6b . . . 59.7(3) yes O5a O7b O8b . . 1_455 161.4(4) yes O5a O7b O9b . . 3_655 90.4(3) yes O5a O7b O13a . . 1_465 132.8(4) yes O5a O7b O14b . . . 101.7(3) yes O6b O7b O8b . . 1_455 136.9(4) yes O6b O7b O9b . . 3_655 68.9(3) yes O6b O7b O13a . . 1_465 76.0(3) yes O6b O7b O14b . . . 126.3(4) yes O8b O7b O9b 1_455 . 3_655 89.9(3) yes O8b O7b O13a 1_455 . 1_465 61.1(3) yes O8b O7b O14b 1_455 . . 62.5(3) yes O9b O7b O13a 3_655 . 1_465 56.9(3) yes O9b O7b O14b 3_655 . . 60.9(3) yes O13a O7b O14b 1_465 . . 91.2(3) yes Ag1a O8b Ag3a . . . 92.9(2) yes Ag1a O8b Fe2b . . . 126.5(3) yes Ag1a O8b P3a . . . 86.9(3) yes Ag1a O8b O7b . . 1_655 128.7(3) yes Ag1a O8b O9a . . . 53.2(2) yes Ag1a O8b O10b . . . 111.5(3) yes Ag1a O8b O11a . . 3_655 94.3(3) yes Ag1a O8b O12a . . 3_655 103.4(3) yes Ag1a O8b O13a . . 1_565 84.0(3) yes Ag1a O8b O14b . . 1_655 161.5(3) yes Ag3a O8b Fe2b . . . 97.6(3) yes Ag3a O8b P3a . . . 121.2(4) yes Ag3a O8b O7b . . 1_655 53.1(2) yes Ag3a O8b O9a . . . 110.2(3) yes Ag3a O8b O10b . . . 98.1(3) yes Ag3a O8b O11a . . 3_655 157.9(4) yes Ag3a O8b O12a . . 3_655 141.4(3) yes Ag3a O8b O13a . . 1_565 86.2(3) yes Ag3a O8b O14b . . 1_655 103.7(3) yes Fe2b O8b P3a . . . 128.4(5) yes Fe2b O8b O7b . . 1_655 45.7(2) yes Fe2b O8b O9a . . . 152.2(4) yes Fe2b O8b O10b . . . 118.6(4) yes Fe2b O8b O11a . . 3_655 94.8(3) yes Fe2b O8b O13a . . 1_565 45.0(2) yes P3a O8b O7b . . 1_655 141.5(4) yes P3a O8b O12a . . 3_655 94.7(4) yes P3a O8b O13a . . 1_565 151.5(4) yes P3a O8b O14b . . 1_655 91.3(4) yes O7b O8b O9a 1_655 . . 161.1(4) yes O7b O8b O10b 1_655 . . 110.5(3) yes O7b O8b O11a 1_655 . 3_655 132.3(4) yes O7b O8b O12a 1_655 . 3_655 90.5(3) yes O7b O8b O13a 1_655 . 1_565 59.8(3) yes O7b O8b O14b 1_655 . 1_655 59.6(3) yes O9a O8b O10b . . . 59.6(3) yes O9a O8b O11a . . 3_655 59.3(3) yes O9a O8b O12a . . 3_655 107.6(3) yes O9a O8b O13a . . 1_565 133.6(4) yes O9a O8b O14b . . 1_655 125.5(4) yes O10b O8b O11a . . 3_655 59.9(3) yes O10b O8b O12a . . 3_655 107.7(4) yes O10b O8b O13a . . 1_565 163.6(4) yes O10b O8b O14b . . 1_655 74.7(3) yes O11a O8b O12a 3_655 . 3_655 56.1(3) yes O11a O8b O13a 3_655 . 1_565 115.3(4) yes O11a O8b O14b 3_655 . 1_655 73.3(3) yes O12a O8b O13a 3_655 . 1_565 61.5(3) yes O12a O8b O14b 3_655 . 1_655 58.4(3) yes O13a O8b O14b 1_565 . 1_655 88.9(3) yes Ag1b O8a Fe2a . . 3_645 126.9(3) yes Ag1b O8a P3b . . . 89.0(3) yes Ag1b O8a O7a . . 4_544 122.3(3) yes Ag1b O8a O9b . . . 55.4(2) yes Ag1b O8a O10a . . . 112.6(3) yes Ag1b O8a O11b . . . 98.6(3) yes Ag1b O8a O12b . . . 107.6(3) yes Ag1b O8a O13b . . 3_645 83.3(3) yes Ag1b O8a O14a . . 3_645 167.3(3) yes Fe2a O8a P3b 3_645 . . 130.3(5) yes Fe2a O8a O7a 3_645 . 4_544 45.3(2) yes Fe2a O8a O9b 3_645 . . 154.5(4) yes Fe2a O8a O10a 3_645 . . 119.3(4) yes Fe2a O8a O11b 3_645 . . 97.2(3) yes Fe2a O8a O12b 3_645 . . 46.3(2) yes P3b O8a O7a . . 4_544 144.3(4) yes P3b O8a O12b . . . 94.7(4) yes P3b O8a O13b . . 3_645 150.6(4) yes P3b O8a O14a . . 3_645 93.0(4) yes O7a O8a O9b 4_544 . . 159.8(4) yes O7a O8a O10a 4_544 . . 111.7(3) yes O7a O8a O11b 4_544 . . 135.4(4) yes O7a O8a O12b 4_544 . . 91.6(3) yes O7a O8a O13b 4_544 . 3_645 59.1(3) yes O7a O8a O14a 4_544 . 3_645 60.5(3) yes O9b O8a O10a . . . 59.8(3) yes O9b O8a O11b . . . 59.1(3) yes O9b O8a O12b . . . 108.3(3) yes O9b O8a O13b . . 3_645 133.5(4) yes O9b O8a O14a . . 3_645 126.9(4) yes O10a O8a O11b . . . 60.2(3) yes O10a O8a O12b . . . 108.0(3) yes O10a O8a O13b . . 3_645 163.7(4) yes O10a O8a O14a . . 3_645 74.7(3) yes O11b O8a O12b . . . 56.8(3) yes O11b O8a O13b . . 3_645 115.4(4) yes O11b O8a O14a . . 3_645 75.7(3) yes O12b O8a O13b . . 3_645 61.3(3) yes O12b O8a O14a . . 3_645 59.8(3) yes O13b O8a O14a 3_645 . 3_645 89.0(3) yes Ag1a O9a Ag1a . . 3_655 90.5(2) yes Ag1a O9a Fe2a . . . 108.7(3) yes Ag1a O9a P3a . . . 101.3(4) yes Ag1a O9a O7a . . 2_645 96.0(3) yes Ag1a O9a O8b . . . 67.8(3) yes Ag1a O9a O10b . . . 126.6(4) yes Ag1a O9a O11a . . 3_655 104.5(3) yes Ag1a O9a O12b . . 3_645 111.2(3) yes Ag1a O9a O13b . . . 61.5(2) yes Ag1a O9a O14a . . . 151.4(4) yes Ag1a O9a Ag1a 3_655 . . 90.5(2) yes Ag1a O9a Fe2a 3_655 . . 91.6(3) yes Ag1a O9a P3a 3_655 . . 109.4(4) yes Ag1a O9a O7a 3_655 . 2_645 133.5(3) yes Ag1a O9a O8b 3_655 . . 116.0(3) yes Ag1a O9a O10b 3_655 . . 123.3(3) yes Ag1a O9a O11a 3_655 . 3_655 70.6(2) yes Ag1a O9a O12b 3_655 . 3_645 47.19(19) yes Ag1a O9a O13b 3_655 . . 84.4(3) yes Ag1a O9a O14a 3_655 . . 97.6(3) yes Fe2a O9a P3a . . . 143.1(5) yes Fe2a O9a O8b . . . 151.8(4) yes Fe2a O9a O10b . . . 110.0(4) yes Fe2a O9a O11a . . 3_655 142.3(4) yes Fe2a O9a O12b . . 3_645 45.3(2) yes Fe2a O9a O13b . . . 47.9(2) yes P3a O9a O7a . . 2_645 114.1(4) yes P3a O9a O12b . . 3_645 138.3(5) yes P3a O9a O13b . . . 158.8(5) yes P3a O9a O14a . . . 101.6(4) yes O7a O9a O8b 2_645 . . 108.9(3) yes O7a O9a O10b 2_645 . . 88.3(3) yes O7a O9a O11a 2_645 . 3_655 148.6(4) yes O7a O9a O12b 2_645 . 3_645 88.2(3) yes O7a O9a O13b 2_645 . . 59.6(3) yes O7a O9a O14a 2_645 . . 58.9(3) yes O8b O9a O10b . . . 60.6(3) yes O8b O9a O11a . . 3_655 59.7(3) yes O8b O9a O12b . . 3_645 162.8(4) yes O8b O9a O13b . . . 125.2(4) yes O8b O9a O14a . . . 130.1(4) yes O10b O9a O11a . . 3_655 60.4(3) yes O10b O9a O12b . . 3_645 122.2(4) yes O10b O9a O13b . . . 147.9(4) yes O10b O9a O14a . . . 70.3(3) yes O11a O9a O12b 3_655 . 3_645 105.6(3) yes O11a O9a O13b 3_655 . . 151.7(4) yes O11a O9a O14a 3_655 . . 104.0(3) yes O12b O9a O13b 3_645 . . 62.8(3) yes O12b O9a O14a 3_645 . . 59.0(3) yes O13b O9a O14a . . . 92.0(3) yes Ag1b O9b Fe2b . . 3_755 110.3(3) yes Ag1b O9b P3b . . . 98.6(4) yes Ag1b O9b O7b . . 3_655 94.3(3) yes Ag1b O9b O8a . . . 65.0(3) yes Ag1b O9b O10a . . . 122.0(3) yes Ag1b O9b O11b . . . 106.2(3) yes Ag1b O9b O12a . . 1_655 116.7(3) yes Ag1b O9b O13a . . 3_745 64.6(2) yes Ag1b O9b O14b . . 3_655 151.0(3) yes Fe2b O9b P3b 3_755 . . 142.3(5) yes Fe2b O9b O8a 3_755 . . 151.4(4) yes Fe2b O9b O10a 3_755 . . 108.5(3) yes Fe2b O9b O11b 3_755 . . 140.9(4) yes Fe2b O9b O13a 3_755 . 3_745 47.2(2) yes P3b O9b O7b . . 3_655 113.3(4) yes P3b O9b O12a . . 1_655 137.7(4) yes P3b O9b O13a . . 3_745 159.4(5) yes P3b O9b O14b . . 3_655 100.9(4) yes O7b O9b O8a 3_655 . . 108.4(3) yes O7b O9b O10a 3_655 . . 86.1(3) yes O7b O9b O11b 3_655 . . 146.5(4) yes O7b O9b O12a 3_655 . 1_655 87.8(3) yes O7b O9b O13a 3_655 . 3_745 59.4(3) yes O7b O9b O14b 3_655 . 3_655 58.2(3) yes O8a O9b O10a . . . 60.2(3) yes O8a O9b O11b . . . 60.0(3) yes O8a O9b O12a . . 1_655 163.7(4) yes O8a O9b O13a . . 3_745 126.6(4) yes O8a O9b O14b . . 3_655 128.8(3) yes O10a O9b O11b . . . 60.6(3) yes O10a O9b O12a . . 1_655 121.3(4) yes O10a O9b O13a . . 3_745 145.6(4) yes O10a O9b O14b . . 3_655 69.3(3) yes O11b O9b O12a . . 1_655 105.4(3) yes O11b O9b O13a . . 3_745 153.8(4) yes O11b O9b O14b . . 3_655 102.4(3) yes O12a O9b O13a 1_655 . 3_745 62.9(3) yes O12a O9b O14b 1_655 . 3_655 58.4(3) yes O13a O9b O14b 3_745 . 3_655 91.1(3) yes Ag1b O10b Ag2a 3_745 . 2_645 96.1(3) yes Ag1b O10b P3a 3_745 . . 123.4(4) yes Ag1b O10b O8b 3_745 . . 126.7(4) yes Ag1b O10b O9a 3_745 . . 135.9(4) yes Ag1b O10b O11a 3_745 . 3_655 86.2(3) yes Ag2a O10b P3a 2_645 . . 136.5(5) yes Ag2a O10b O8b 2_645 . . 132.7(4) yes Ag2a O10b O9a 2_645 . . 105.0(3) yes Ag2a O10b O11a 2_645 . 3_655 155.2(4) yes O8b O10b O9a . . . 59.8(3) yes O8b O10b O11a . . 3_655 59.0(3) yes O9a O10b O11a . . 3_655 59.1(3) yes Ag1a O10a Ag2b 3_655 . 3_655 97.2(3) yes Ag1a O10a Ag4a 3_655 . 3_655 90.4(3) yes Ag1a O10a P3b 3_655 . . 121.1(4) yes Ag1a O10a O8a 3_655 . . 127.2(4) yes Ag1a O10a O9b 3_655 . . 132.4(3) yes Ag1a O10a O11b 3_655 . . 84.0(3) yes Ag2b O10a Ag4a 3_655 . 3_655 84.8(2) yes Ag2b O10a P3b 3_655 . . 132.9(4) yes Ag2b O10a O8a 3_655 . . 134.3(3) yes Ag2b O10a O9b 3_655 . . 100.2(3) yes Ag2b O10a O11b 3_655 . . 148.1(4) yes Ag4a O10a P3b 3_655 . . 118.2(4) yes Ag4a O10a O8a 3_655 . . 84.5(3) yes Ag4a O10a O9b 3_655 . . 134.9(4) yes Ag4a O10a O11b 3_655 . . 127.1(4) yes O8a O10a O9b . . . 60.0(3) yes O8a O10a O11b . . . 59.4(3) yes O9b O10a O11b . . . 58.9(3) yes P3a O11a P4a 3_655 . . 134.3(5) yes P3a O11a O11b 3_655 . 3_655 87.4(3) yes P3a O11a O12a 3_655 . . 104.6(4) yes P3a O11a O12a 3_655 . 3_555 111.8(4) yes P3a O11a O13b 3_655 . . 120.4(4) yes P3a O11a O14b 3_655 . . 164.5(5) yes P4a O11a O8b . . 3_655 99.5(4) yes P4a O11a O9a . . 3_655 127.4(4) yes P4a O11a O10b . . 3_655 154.2(5) yes P4a O11a O11b . . 3_655 133.5(4) yes P4a O11a O12a . . 3_555 87.4(3) yes O8b O11a O9a 3_655 . 3_655 61.0(3) yes O8b O11a O10b 3_655 . 3_655 61.1(3) yes O8b O11a O11b 3_655 . 3_655 123.7(4) yes O8b O11a O12a 3_655 . . 68.3(3) yes O8b O11a O12a 3_655 . 3_555 106.5(3) yes O8b O11a O13b 3_655 . . 99.2(4) yes O8b O11a O14b 3_655 . . 129.3(4) yes O9a O11a O10b 3_655 . 3_655 60.5(3) yes O9a O11a O11b 3_655 . 3_655 70.6(3) yes O9a O11a O12a 3_655 . . 119.2(4) yes O9a O11a O12a 3_655 . 3_555 143.1(4) yes O9a O11a O13b 3_655 . . 96.7(3) yes O9a O11a O14b 3_655 . . 154.1(4) yes O10b O11a O11b 3_655 . 3_655 71.4(3) yes O10b O11a O12a 3_655 . . 118.9(4) yes O10b O11a O12a 3_655 . 3_555 82.8(3) yes O10b O11a O13b 3_655 . . 154.6(4) yes O10b O11a O14b 3_655 . . 144.5(4) yes O11b O11a O12a 3_655 . . 168.0(4) yes O11b O11a O12a 3_655 . 3_555 95.1(3) yes O11b O11a O13b 3_655 . . 113.7(3) yes O11b O11a O14b 3_655 . . 106.8(3) yes O12a O11a O12a . . 3_555 80.7(3) yes O12a O11a O13b . . . 60.2(3) yes O12a O11a O14b . . . 61.3(3) yes O12a O11a O12a 3_555 . . 80.7(3) yes O12a O11a O13b 3_555 . . 120.1(3) yes O12a O11a O14b 3_555 . . 61.8(3) yes O13b O11a O14b . . . 60.0(3) yes P3b O11b P4b . . . 133.1(5) yes P3b O11b O11a . . 3_655 88.4(4) yes P3b O11b O12b . . . 102.9(4) yes P3b O11b O12b . . 3_645 110.8(4) yes P3b O11b O13a . . . 120.3(4) yes P3b O11b O14a . . . 162.8(5) yes P4b O11b O8a . . . 98.8(4) yes P4b O11b O9b . . . 128.3(4) yes P4b O11b O10a . . . 152.1(5) yes P4b O11b O11a . . 3_655 134.6(4) yes P4b O11b O12b . . 3_645 86.5(3) yes O8a O11b O9b . . . 60.8(3) yes O8a O11b O10a . . . 60.4(3) yes O8a O11b O11a . . 3_655 124.1(4) yes O8a O11b O12b . . . 67.2(3) yes O8a O11b O12b . . 3_645 104.4(3) yes O8a O11b O13a . . . 99.2(4) yes O8a O11b O14a . . . 128.2(4) yes O9b O11b O10a . . . 60.5(3) yes O9b O11b O11a . . 3_655 71.4(3) yes O9b O11b O12b . . . 118.6(4) yes O9b O11b O12b . . 3_645 142.1(4) yes O9b O11b O13a . . . 97.9(4) yes O9b O11b O14a . . . 155.5(4) yes O10a O11b O11a . . 3_655 71.9(3) yes O10a O11b O12b . . . 116.9(4) yes O10a O11b O12b . . 3_645 81.8(3) yes O10a O11b O13a . . . 155.0(4) yes O10a O11b O14a . . . 143.5(4) yes O11a O11b O12b 3_655 . . 168.7(4) yes O11a O11b O12b 3_655 . 3_645 95.5(3) yes O11a O11b O13a 3_655 . . 115.3(4) yes O11a O11b O14a 3_655 . . 107.4(4) yes O12b O11b O12b . . 3_645 79.5(3) yes O12b O11b O13a . . . 60.1(3) yes O12b O11b O14a . . . 61.4(3) yes O12b O11b O12b 3_645 . . 79.5(3) yes O12b O11b O13a 3_645 . . 119.5(4) yes O12b O11b O14a 3_645 . . 61.8(3) yes O13a O11b O14a . . . 59.8(3) yes Ag1b O12a Fe2b 3_645 . 3_655 118.8(3) yes Ag1b O12a P4a 3_645 . . 109.1(4) yes Ag1b O12a O8b 3_645 . 3_655 158.7(4) yes Ag1b O12a O9b 3_645 . 1_455 74.1(2) yes Ag1b O12a O11a 3_645 . . 144.7(4) yes Ag1b O12a O11a 3_645 . 3_555 75.0(2) yes Ag1b O12a O13b 3_645 . . 97.2(3) yes Ag1b O12a O13a 3_645 . 3_645 99.1(3) yes Ag1b O12a O14b 3_645 . . 87.2(3) yes Ag1b O12a O14b 3_645 . 3_555 120.4(3) yes Fe2b O12a P4a 3_655 . . 131.9(5) yes Fe2b O12a O8b 3_655 . 3_655 45.7(2) yes Fe2b O12a O9b 3_655 . 1_455 45.7(2) yes Fe2b O12a O11a 3_655 . . 95.1(3) yes Fe2b O12a O11a 3_655 . 3_555 86.8(3) yes Fe2b O12a O13b 3_655 . . 134.6(4) yes Fe2b O12a O14b 3_655 . . 141.7(4) yes Fe2b O12a O14b 3_655 . 3_555 46.4(2) yes P4a O12a O8b . . 3_655 88.7(4) yes P4a O12a O9b . . 1_455 166.3(5) yes P4a O12a O11a . . 3_555 102.6(4) yes P4a O12a O13a . . 3_645 133.2(4) yes P4a O12a O14b . . 3_555 105.6(4) yes O8b O12a O9b 3_655 . 1_455 91.4(3) yes O8b O12a O11a 3_655 . . 55.6(3) yes O8b O12a O11a 3_655 . 3_555 113.4(3) yes O8b O12a O13b 3_655 . . 91.3(3) yes O8b O12a O13a 3_655 . 3_645 59.7(3) yes O8b O12a O14b 3_655 . . 113.8(4) yes O8b O12a O14b 3_655 . 3_555 62.7(3) yes O9b O12a O11a 1_455 . . 135.8(4) yes O9b O12a O11a 1_455 . 3_555 64.9(3) yes O9b O12a O13b 1_455 . . 159.7(4) yes O9b O12a O13a 1_455 . 3_645 57.1(3) yes O9b O12a O14b 1_455 . . 136.6(4) yes O9b O12a O14b 1_455 . 3_555 62.6(3) yes O11a O12a O11a . . 3_555 99.3(3) yes O11a O12a O13b . . . 60.1(3) yes O11a O12a O13a . . 3_645 113.0(3) yes O11a O12a O14b . . . 58.4(3) yes O11a O12a O14b . . 3_555 75.3(3) yes O11a O12a O11a 3_555 . . 99.3(3) yes O11a O12a O13b 3_555 . . 131.4(4) yes O11a O12a O13a 3_555 . 3_645 120.7(3) yes O11a O12a O14b 3_555 . . 72.6(3) yes O11a O12a O14b 3_555 . 3_555 50.9(2) yes O13b O12a O13a . . 3_645 107.9(3) yes O13b O12a O14b . . . 59.0(3) yes O13b O12a O14b . . 3_555 135.4(4) yes O13a O12a O14b 3_645 . . 166.3(4) yes O13a O12a O14b 3_645 . 3_555 90.2(3) yes O14b O12a O14b . . 3_555 97.1(3) yes O14b O12a O14b 3_555 . . 97.1(3) yes Ag1a O12b Fe2a 1_545 . 3_645 113.8(3) yes Ag1a O12b P4b 1_545 . . 112.8(4) yes Ag1a O12b O8a 1_545 . . 154.6(4) yes Ag1a O12b O9a 1_545 . 3_645 69.9(2) yes Ag1a O12b O11b 1_545 . . 148.8(4) yes Ag1a O12b O11b 1_545 . 3_645 74.5(2) yes Ag1a O12b O13b 1_545 . 3_645 93.8(3) yes Ag1a O12b O13a 1_545 . . 100.3(3) yes Ag1a O12b O14a 1_545 . . 90.8(3) yes Ag1a O12b O14a 1_545 . 3_645 118.3(3) yes Fe2a O12b P4b 3_645 . . 133.4(5) yes Fe2a O12b O8a 3_645 . . 45.9(2) yes Fe2a O12b O9a 3_645 . 3_645 45.1(2) yes Fe2a O12b O11b 3_645 . . 96.3(3) yes Fe2a O12b O11b 3_645 . 3_645 86.1(3) yes Fe2a O12b O13a 3_645 . . 135.2(4) yes Fe2a O12b O14a 3_645 . . 142.9(4) yes Fe2a O12b O14a 3_645 . 3_645 45.8(2) yes P4b O12b O8a . . . 89.7(4) yes P4b O12b O9a . . 3_645 166.5(5) yes P4b O12b O11b . . 3_645 103.5(4) yes P4b O12b O13b . . 3_645 134.4(4) yes P4b O12b O14a . . 3_645 107.0(4) yes O8a O12b O9a . . 3_645 91.0(3) yes O8a O12b O11b . . . 56.1(3) yes O8a O12b O11b . . 3_645 112.9(3) yes O8a O12b O13b . . 3_645 61.0(3) yes O8a O12b O13a . . . 92.0(3) yes O8a O12b O14a . . . 114.6(4) yes O8a O12b O14a . . 3_645 61.9(3) yes O9a O12b O11b 3_645 . . 136.3(4) yes O9a O12b O11b 3_645 . 3_645 63.9(3) yes O9a O12b O13b 3_645 . 3_645 56.5(3) yes O9a O12b O13a 3_645 . . 159.6(4) yes O9a O12b O14a 3_645 . . 136.5(4) yes O9a O12b O14a 3_645 . 3_645 61.8(3) yes O11b O12b O11b . . 3_645 100.5(3) yes O11b O12b O13b . . 3_645 114.5(3) yes O11b O12b O13a . . . 59.7(3) yes O11b O12b O14a . . . 58.8(3) yes O11b O12b O14a . . 3_645 76.5(3) yes O11b O12b O11b 3_645 . . 100.5(3) yes O11b O12b O13b 3_645 . 3_645 119.4(3) yes O11b O12b O13a 3_645 . . 132.3(4) yes O11b O12b O14a 3_645 . . 73.7(3) yes O11b O12b O14a 3_645 . 3_645 51.2(2) yes O13b O12b O13a 3_645 . . 108.2(3) yes O13b O12b O14a 3_645 . . 166.8(4) yes O13b O12b O14a 3_645 . 3_645 90.0(3) yes O13a O12b O14a . . . 58.8(3) yes O13a O12b O14a . . 3_645 136.2(4) yes O14a O12b O14a . . 3_645 98.7(3) yes O14a O12b O14a 3_645 . . 98.7(3) yes Ag1a O13b Ag2b . . . 84.8(2) yes Ag1a O13b Fe2a . . . 99.7(3) yes Ag1a O13b P4a . . . 110.7(4) yes Ag1a O13b O7a . . 2_645 93.4(3) yes Ag1a O13b O8a . . 3_645 143.3(3) yes Ag1a O13b O9a . . . 52.8(2) yes Ag1a O13b O11a . . . 76.8(3) yes Ag1a O13b O12a . . . 134.7(4) yes Ag1a O13b O12b . . 3_645 102.6(3) yes Ag1a O13b O14b . . . 108.1(3) yes Ag2b O13b Fe2a . . . 119.8(3) yes Ag2b O13b P4a . . . 90.7(3) yes Ag2b O13b O7a . . 2_645 74.8(2) yes Ag2b O13b O8a . . 3_645 107.5(3) yes Ag2b O13b O9a . . . 115.4(3) yes Ag2b O13b O11a . . . 101.0(3) yes Ag2b O13b O12a . . . 113.7(3) yes Ag2b O13b O12b . . 3_645 162.9(3) yes Ag2b O13b O14b . . . 56.4(2) yes Fe2a O13b P4a . . . 138.8(5) yes Fe2a O13b O7a . . 2_645 45.2(2) yes Fe2a O13b O9a . . . 47.5(2) yes Fe2a O13b O11a . . . 138.7(4) yes Fe2a O13b O12a . . . 104.6(4) yes Fe2a O13b O14b . . . 151.0(4) yes P4a O13b O7a . . 2_645 150.7(5) yes P4a O13b O8a . . 3_645 103.7(4) yes P4a O13b O9a . . . 144.5(5) yes P4a O13b O12b . . 3_645 100.7(4) yes O7a O13b O8a 2_645 . 3_645 58.9(3) yes O7a O13b O9a 2_645 . . 63.9(3) yes O7a O13b O11a 2_645 . . 169.7(4) yes O7a O13b O12a 2_645 . . 130.5(4) yes O7a O13b O12b 2_645 . 3_645 89.3(3) yes O7a O13b O14b 2_645 . . 123.1(4) yes O8a O13b O9a 3_645 . . 91.5(3) yes O8a O13b O11a 3_645 . . 131.2(4) yes O8a O13b O12a 3_645 . . 72.7(3) yes O8a O13b O12b 3_645 . 3_645 57.7(3) yes O8a O13b O14b 3_645 . . 107.4(3) yes O9a O13b O11a . . . 111.0(4) yes O9a O13b O12a . . . 130.9(4) yes O9a O13b O12b . . 3_645 60.7(3) yes O9a O13b O14b . . . 160.9(4) yes O11a O13b O12a . . . 59.7(3) yes O11a O13b O12b . . 3_645 95.7(3) yes O11a O13b O14b . . . 58.8(3) yes O12a O13b O12b . . 3_645 72.0(3) yes O12a O13b O14b . . . 60.8(3) yes O12b O13b O14b 3_645 . . 132.6(4) yes Ag1b O13a Ag2a 3_745 . 2_645 74.2(2) yes Ag1b O13a Fe2b 3_745 . 1_545 98.2(3) yes Ag1b O13a P4b 3_745 . . 111.2(4) yes Ag1b O13a O7b 3_745 . 1_645 89.6(3) yes Ag1b O13a O8b 3_745 . 1_545 142.3(3) yes Ag1b O13a O9b 3_745 . 3_745 52.0(2) yes Ag1b O13a O11b 3_745 . . 77.1(3) yes Ag1b O13a O12a 3_745 . 3_645 103.9(3) yes Ag1b O13a O12b 3_745 . . 136.0(4) yes Ag1b O13a O14a 3_745 . . 107.0(3) yes Ag2a O13a Fe2b 2_645 . 1_545 120.4(3) yes Ag2a O13a P4b 2_645 . . 94.9(4) yes Ag2a O13a O7b 2_645 . 1_645 75.3(2) yes Ag2a O13a O8b 2_645 . 1_545 112.6(3) yes Ag2a O13a O9b 2_645 . 3_745 109.3(3) yes Ag2a O13a O11b 2_645 . . 100.3(3) yes Ag2a O13a O12a 2_645 . 3_645 163.7(3) yes Ag2a O13a O12b 2_645 . . 121.0(3) yes Ag2a O13a O14a 2_645 . . 61.1(2) yes Fe2b O13a P4b 1_545 . . 139.3(5) yes Fe2b O13a O7b 1_545 . 1_645 45.3(2) yes Fe2b O13a O8b 1_545 . 1_545 45.2(2) yes Fe2b O13a O9b 1_545 . 3_745 47.5(2) yes Fe2b O13a O11b 1_545 . . 136.4(4) yes Fe2b O13a O12b 1_545 . . 105.2(4) yes Fe2b O13a O14a 1_545 . . 153.5(4) yes P4b O13a O7b . . 1_645 154.0(5) yes P4b O13a O8b . . 1_545 105.3(4) yes P4b O13a O9b . . 3_745 141.6(5) yes P4b O13a O12a . . 3_645 100.8(4) yes O7b O13a O8b 1_645 . 1_545 59.1(3) yes O7b O13a O9b 1_645 . 3_745 63.7(3) yes O7b O13a O11b 1_645 . . 166.7(4) yes O7b O13a O12a 1_645 . 3_645 88.5(3) yes O7b O13a O12b 1_645 . . 132.9(4) yes O7b O13a O14a 1_645 . . 125.4(4) yes O8b O13a O9b 1_545 . 3_745 92.7(3) yes O8b O13a O11b 1_545 . . 133.2(4) yes O8b O13a O12a 1_545 . 3_645 58.8(3) yes O8b O13a O12b 1_545 . . 74.3(3) yes O8b O13a O14a 1_545 . . 108.4(4) yes O9b O13a O11b 3_745 . . 107.2(4) yes O9b O13a O12a 3_745 . 3_645 60.0(3) yes O9b O13a O12b 3_745 . . 129.4(4) yes O9b O13a O14a 3_745 . . 158.8(4) yes O11b O13a O12a . . 3_645 95.0(3) yes O11b O13a O12b . . . 60.2(3) yes O11b O13a O14a . . . 59.8(3) yes O12a O13a O12b 3_645 . . 72.0(3) yes O12a O13a O14a 3_645 . . 133.2(4) yes O12b O13a O14a . . . 61.4(3) yes Ag2b O14b Fe2b . . 1_455 108.9(3) yes Ag2b O14b P4a . . . 102.6(4) yes Ag2b O14b O7b . . . 67.4(2) yes Ag2b O14b O8b . . 1_455 117.2(3) yes Ag2b O14b O9b . . 3_655 91.5(3) yes Ag2b O14b O11a . . . 111.6(3) yes Ag2b O14b O12a . . . 124.2(3) yes Ag2b O14b O12a . . 3_555 149.5(4) yes Ag2b O14b O13b . . . 68.4(3) yes Fe2b O14b P4a 1_455 . . 135.7(5) yes Fe2b O14b O11a 1_455 . . 99.8(3) yes Fe2b O14b O12a 1_455 . . 126.8(4) yes Fe2b O14b O12a 1_455 . 3_555 45.2(2) yes Fe2b O14b O13b 1_455 . . 155.1(4) yes P4a O14b O7b . . . 162.6(5) yes P4a O14b O8b . . 1_455 137.5(4) yes P4a O14b O9b . . 3_655 106.8(4) yes P4a O14b O12a . . 3_555 93.8(4) yes O7b O14b O8b . . 1_455 57.8(3) yes O7b O14b O9b . . 3_655 60.9(3) yes O7b O14b O11a . . . 130.0(4) yes O7b O14b O12a . . . 163.3(4) yes O7b O14b O12a . . 3_555 89.8(3) yes O7b O14b O13b . . . 134.7(4) yes O8b O14b O9b 1_455 . 3_655 87.3(3) yes O8b O14b O11a 1_455 . . 126.0(4) yes O8b O14b O12a 1_455 . . 105.7(3) yes O8b O14b O12a 1_455 . 3_555 59.0(3) yes O8b O14b O13b 1_455 . . 160.6(4) yes O9b O14b O11a 3_655 . . 69.3(3) yes O9b O14b O12a 3_655 . . 125.7(4) yes O9b O14b O12a 3_655 . 3_555 59.0(3) yes O9b O14b O13b 3_655 . . 111.6(4) yes O11a O14b O12a . . . 60.3(3) yes O11a O14b O12a . . 3_555 67.3(3) yes O11a O14b O13b . . . 61.2(3) yes O12a O14b O12a . . 3_555 82.9(3) yes O12a O14b O13b . . . 60.2(3) yes O12a O14b O12a 3_555 . . 82.9(3) yes O12a O14b O13b 3_555 . . 126.5(4) yes Ag2a O14a Ag4a 2_645 . 1_545 75.99(18) yes Ag2a O14a Fe2a 2_645 . . 108.2(3) yes Ag2a O14a P4b 2_645 . . 100.0(3) yes Ag2a O14a O7a 2_645 . 2_645 69.7(2) yes Ag2a O14a O8a 2_645 . 3_645 123.0(3) yes Ag2a O14a O9a 2_645 . . 86.3(2) yes Ag2a O14a O11b 2_645 . . 104.6(3) yes Ag2a O14a O12b 2_645 . . 125.0(3) yes Ag2a O14a O12b 2_645 . 3_645 145.4(3) yes Ag2a O14a O13a 2_645 . . 66.9(2) yes Ag4a O14a Fe2a 1_545 . . 101.0(3) yes Ag4a O14a P4b 1_545 . . 120.5(4) yes Ag4a O14a O7a 1_545 . 2_645 71.7(2) yes Ag4a O14a O8a 1_545 . 3_645 67.6(2) yes Ag4a O14a O9a 1_545 . . 132.4(3) yes Ag4a O14a O11b 1_545 . . 158.6(4) yes Ag4a O14a O12b 1_545 . . 101.8(3) yes Ag4a O14a O12b 1_545 . 3_645 124.4(3) yes Ag4a O14a O13a 1_545 . . 101.8(3) yes Fe2a O14a P4b . . . 134.4(4) yes Fe2a O14a O11b . . . 99.1(3) yes Fe2a O14a O12b . . . 125.6(4) yes Fe2a O14a O12b . . 3_645 45.4(2) yes Fe2a O14a O13a . . . 154.5(4) yes P4b O14a O7a . . 2_645 162.6(5) yes P4b O14a O8a . . 3_645 135.9(4) yes P4b O14a O9a . . . 105.8(4) yes P4b O14a O12b . . 3_645 92.4(4) yes O7a O14a O8a 2_645 . 3_645 58.2(2) yes O7a O14a O9a 2_645 . . 60.7(3) yes O7a O14a O11b 2_645 . . 129.0(4) yes O7a O14a O12b 2_645 . . 162.9(4) yes O7a O14a O12b 2_645 . 3_645 89.4(3) yes O7a O14a O13a 2_645 . . 136.4(4) yes O8a O14a O9a 3_645 . . 87.5(3) yes O8a O14a O11b 3_645 . . 125.0(3) yes O8a O14a O12b 3_645 . . 104.7(3) yes O8a O14a O12b 3_645 . 3_645 58.3(2) yes O8a O14a O13a 3_645 . . 160.2(4) yes O9a O14a O11b . . . 68.5(3) yes O9a O14a O12b . . . 124.1(4) yes O9a O14a O12b . . 3_645 59.2(3) yes O9a O14a O13a . . . 111.2(4) yes O11b O14a O12b . . . 59.8(3) yes O11b O14a O12b . . 3_645 66.9(3) yes O11b O14a O13a . . . 60.4(3) yes O12b O14a O12b . . 3_645 81.3(3) yes O12b O14a O13a . . . 59.8(3) yes O12b O14a O12b 3_645 . . 81.3(3) yes O12b O14a O13a 3_645 . . 125.0(4) yes #======================================================================= # Attachment 'Ag7Fe3_P2O7_4_298K.cif' #======================================================================= data_4 _database_code_depnum_ccdc_archive 'CCDC 707711' #======================================================================= _audit_creation_method 'Jana2000 Version : 22/12/2005' # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Ag7 Fe3 O28 P8' _chemical_formula_weight 1618.4 _chemical_melting_point ? _chemical_compound_source ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,y,1/2-z 3 -x,-y,-z 4 x,-y,1/2+z 5 1/2+x,1/2+y,z 6 1/2-x,1/2+y,1/2-z 7 1/2-x,1/2-y,-z 8 1/2+x,1/2-y,1/2+z _cell_length_a 9.5561(5) _cell_length_b 8.4417(4) _cell_length_c 28.2257(14) _cell_angle_alpha 90 _cell_angle_beta 93.465(2) _cell_angle_gamma 90 _cell_volume 2272.8(2) _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 298 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 4.7282 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 3004 _exptl_absorpt_coefficient_mu 8.444 _exptl_crystal_description plate-like _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_size_rad 90 _exptl_crystal_colour yellow _exptl_absorpt_correction_type None _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 298 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'BRUKER X8' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number 5704 _diffrn_reflns_theta_min 1.45 _diffrn_reflns_theta_max 36.85 _diffrn_reflns_theta_full 36.85 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 1.00 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0204 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 47 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 5703 _reflns_number_gt 5254 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0422 _refine_ls_wR_factor_gt 0.0469 _refine_ls_R_factor_all 0.0422 _refine_ls_wR_factor_ref 0.0469 _refine_ls_goodness_of_fit_ref 1.61 _refine_ls_goodness_of_fit_gt 1.61 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 5254 _refine_ls_number_parameters 257 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme unit _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0109 _refine_ls_shift/su_mean 0.0009 _refine_diff_density_max 1.58 _refine_diff_density_min -1.11 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 0.0292(19) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508 P 0.102 0.094 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 6.4345 1.9067 4.1791 27.157 1.78 0.526 1.4908 68.164497 1.1149 Fe 0.346 0.844 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 11.7695 4.7611 7.3573 0.3072 3.5222 15.3535 2.3045 76.880501 1.0369 Ag -0.897 1.102 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 19.2808 0.6446 16.688499 7.4726 4.8045 24.6605 1.0463 99.815598 5.179 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement '(Jana2000; Petricek and Dusek, 2000)' _computing_molecular_graphics ? _computing_publication_material '(Jana2000; Petricek and Dusek, 2000)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group P1 P 0.29774(11) 0.25287(12) 0.24590(4) Uani 0.0082(2) 8 1 d . . . P2 P 0.22264(11) 0.13246(12) 0.33540(4) Uani 0.0082(2) 8 1 d . . . P3 P 0.50769(10) 0.66024(12) 0.44364(4) Uani 0.0072(2) 8 1 d . . . P4 P 0.41803(10) 0.78946(12) 0.53368(3) Uani 0.0062(2) 8 1 d . . . Fe1 Fe 0 0.07157(10) 0.25 Uani 0.00799(17) 4 1 d . . . Fe2 Fe 0.31632(6) 0.97198(7) 0.436541(19) Uani 0.00643(11) 8 1 d . . . Ag1 Ag 0.2567(9) 0.3873(10) 0.4433(3) Uani 0.0196(9) 8 0.7(3) d . . . Ag1' Ag 0.244(10) 0.402(11) 0.438(4) Uani 0.028(4) 8 0.3(3) d . . . Ag2 Ag 0.50556(7) 0.33127(7) 0.356254(17) Uani 0.03339(17) 8 0.90(6) d . . . Ag3 Ag 0.547(4) 0.944(3) 0.3188(16) Uani 0.060(4) 8 0.13(3) d . . . Ag3' Ag 0.5239(6) 0.9297(4) 0.3116(4) Uani 0.0395(11) 8 0.52(3) d . . . Ag3'' Ag 0.5004(11) 0.9065(17) 0.3271(3) Uani 0.0462(15) 8 0.32(2) d . . . Ag4 Ag 0.2986(7) 0.5891(15) 0.3485(3) Uani 0.0494(14) 8 0.33(2) d . . . Ag4' Ag 0.2841(8) 0.6354(17) 0.3561(3) Uani 0.0662(17) 8 0.30(2) d . . . O1 O 0.3731(4) 0.1840(4) 0.20537(12) Uani 0.0151(8) 8 1 d . . . O2 O 0.3565(3) 0.4097(4) 0.26420(12) Uani 0.0124(7) 8 1 d . . . O3 O 0.1377(3) 0.2565(4) 0.23698(12) Uani 0.0125(7) 8 1 d . . . O4 O 0.3212(3) 0.1310(4) 0.29039(11) Uani 0.0102(7) 8 1 d . . . O5 O 0.0752(3) 0.0816(4) 0.31697(11) Uani 0.0138(7) 8 1 d . . . O6 O 0.2246(4) 0.2969(4) 0.35532(12) Uani 0.0162(8) 8 1 d . . . O7 O 0.2914(4) 0.0036(4) 0.36663(10) Uani 0.0126(7) 8 1 d . . . O8 O 0.4781(3) 0.8285(4) 0.42537(11) Uani 0.0106(7) 8 1 d . . . O9 O 0.6650(3) 0.6283(4) 0.45044(11) Uani 0.0109(7) 8 1 d . . . O10 O 0.4318(4) 0.5347(4) 0.41477(12) Uani 0.0139(7) 8 1 d . . . O11 O 0.4515(3) 0.6548(4) 0.49648(11) Uani 0.0104(6) 8 1 d . . . O12 O 0.3465(3) 0.9252(4) 0.50572(10) Uani 0.0092(6) 8 1 d . . . O13 O 0.5537(3) 0.8409(4) 0.55967(12) Uani 0.0121(7) 8 1 d . . . O14 O 0.3229(3) 0.7106(4) 0.56810(10) Uani 0.0095(6) 8 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 P1 P 0.0074(3) 0.0091(4) 0.0080(4) -0.0019(3) -0.0004(3) 0.0011(3) P2 P 0.0092(4) 0.0088(4) 0.0063(3) 0.0004(3) -0.0011(3) 0.0005(3) P3 P 0.0061(3) 0.0066(3) 0.0091(4) 0.0005(3) 0.0008(3) -0.0005(3) P4 P 0.0058(3) 0.0060(3) 0.0068(3) -0.0004(3) -0.0002(3) 0.0010(3) Fe1 Fe 0.0066(3) 0.0082(3) 0.0089(3) 0 -0.0017(2) 0 Fe2 Fe 0.00625(20) 0.0063(2) 0.00667(19) -0.00008(16) -0.00050(15) 0.00099(16) Ag1 Ag 0.0151(9) 0.0106(10) 0.034(2) -0.0029(9) 0.008(2) -0.006(3) Ag1' Ag 0.021(7) 0.017(7) 0.047(9) -0.009(6) 0.020(7) -0.019(7) Ag2 Ag 0.0524(4) 0.0332(3) 0.01521(19) -0.0240(3) 0.00717(19) -0.00577(17) Ag3 Ag 0.046(6) 0.016(3) 0.115(10) 0.001(4) -0.026(8) 0.025(4) Ag3' Ag 0.0261(13) 0.0157(8) 0.074(3) 0.0066(6) -0.0173(13) -0.0151(17) Ag3'' Ag 0.0323(19) 0.059(3) 0.045(2) 0.032(2) -0.0166(16) -0.030(2) Ag4 Ag 0.0519(18) 0.069(3) 0.0244(16) -0.0250(17) -0.0199(13) 0.0262(18) Ag4' Ag 0.086(4) 0.083(4) 0.0244(14) 0.010(3) -0.0335(17) 0.006(2) O1 O 0.0146(13) 0.0189(15) 0.0125(12) -0.0006(11) 0.0048(10) 0.0002(11) O2 O 0.0116(12) 0.0097(12) 0.0157(13) -0.0051(10) -0.0006(10) -0.0005(10) O3 O 0.0091(11) 0.0127(13) 0.0156(13) -0.0017(10) 0.0000(10) 0.0044(10) O4 O 0.0086(11) 0.0118(12) 0.0103(11) 0.0000(9) 0.0010(9) 0.0022(9) O5 O 0.0101(12) 0.0214(15) 0.0097(11) -0.0026(11) -0.0011(9) 0.0037(11) O6 O 0.0271(17) 0.0110(12) 0.0104(12) 0.0003(12) 0.0011(12) -0.0034(10) O7 O 0.0187(14) 0.0129(13) 0.0058(10) 0.0036(11) -0.0036(10) 0.0021(9) O8 O 0.0103(11) 0.0087(11) 0.0129(12) 0.0033(9) 0.0028(9) 0.0036(9) O9 O 0.0064(10) 0.0112(12) 0.0154(12) 0.0016(9) 0.0030(9) 0.0003(10) O10 O 0.0161(13) 0.0135(13) 0.0123(12) -0.0054(11) 0.0010(10) -0.0048(10) O11 O 0.0141(12) 0.0080(11) 0.0095(11) 0.0005(10) 0.0041(9) -0.0003(9) O12 O 0.0112(11) 0.0087(11) 0.0076(10) 0.0030(9) -0.0015(9) 0.0004(9) O13 O 0.0078(11) 0.0106(12) 0.0172(13) -0.0023(9) -0.0060(10) 0.0012(10) O14 O 0.0111(11) 0.0100(11) 0.0076(10) -0.0027(9) 0.0024(9) 0.0010(9) #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag P1 P2 . . 2.8546(15) yes P1 O1 . . 1.505(4) yes P1 O2 . . 1.517(3) yes P1 O3 . . 1.535(3) yes P1 O4 . . 1.629(3) yes P2 O4 . . 1.627(3) yes P2 O5 . . 1.533(3) yes P2 O6 . . 1.498(4) yes P2 O7 . . 1.524(3) yes P3 P4 . . 2.9404(14) yes P3 O8 . . 1.531(3) yes P3 O9 . . 1.528(3) yes P3 O10 . . 1.497(4) yes P3 O11 . . 1.616(3) yes P4 O11 . . 1.593(3) yes P4 O12 . . 1.529(3) yes P4 O13 . . 1.514(3) yes P4 O14 . . 1.523(3) yes Fe1 O2 . 5_445 1.993(3) yes Fe1 O2 . 6_545 1.993(3) yes Fe1 O3 . . 2.088(3) yes Fe1 O3 . 2_555 2.088(3) yes Fe1 O5 . . 1.983(3) yes Fe1 O5 . 2_555 1.983(3) yes Fe2 O7 . 1_565 1.991(3) yes Fe2 O8 . . 2.004(3) yes Fe2 O9 . 5_455 2.014(3) yes Fe2 O12 . . 1.996(3) yes Fe2 O13 . 3_676 2.009(3) yes Fe2 O14 . 7_566 2.035(3) yes Ag1 Ag1' . . 0.22(10) yes Ag1 O6 . . 2.599(8) yes Ag1 O8 . 5_445 2.725(9) yes Ag1 O9 . 5_445 2.368(9) yes Ag1 O10 . . 2.272(9) yes Ag1 O12 . 7_566 2.391(9) yes Ag1 O13 . 3_666 2.650(9) yes Ag1' O6 . . 2.50(11) yes Ag1' O8 . 5_445 2.62(9) yes Ag1' O9 . 5_445 2.46(9) yes Ag1' O10 . . 2.25(10) yes Ag1' O12 . 7_566 2.35(10) yes Ag1' O13 . 3_666 2.81(9) yes Ag2 Ag4 . . 2.940(10) yes Ag2 O1 . 2_655 2.482(4) yes Ag2 O2 . . 2.961(3) yes Ag2 O5 . 5_555 2.495(4) yes Ag2 O6 . . 2.699(4) yes Ag2 O10 . . 2.513(3) yes Ag2 O13 . 3_666 2.868(3) yes Ag2 O14 . 3_666 2.636(3) yes Ag3 Ag3' . . 0.31(4) yes Ag3 Ag3'' . . 0.60(4) yes Ag3 Ag4 . 5_555 2.78(4) yes Ag3 Ag4' . 5_555 2.93(4) yes Ag3 O1 . 2_665 2.28(3) yes Ag3 O3 . 5_555 2.97(4) yes Ag3 O3 . 6_555 2.79(4) yes Ag3 O4 . 1_565 2.75(3) yes Ag3 O6 . 5_555 2.30(3) yes Ag3 O7 . 1_565 2.90(4) yes Ag3' Ag3'' . . 0.539(15) yes Ag3' O1 . 2_665 2.422(6) yes Ag3' O3 . 5_555 2.835(10) yes Ag3' O3 . 6_555 2.479(8) yes Ag3' O4 . 1_565 2.618(6) yes Ag3' O5 . 5_555 2.982(5) yes Ag3' O6 . 5_555 2.484(8) yes Ag3' O7 . 1_565 2.855(9) yes Ag3'' O1 . 2_665 2.815(14) yes Ag3'' O3 . 6_555 2.515(11) yes Ag3'' O4 . 1_565 2.716(13) yes Ag3'' O5 . 5_555 2.853(15) yes Ag3'' O6 . 5_555 2.424(11) yes Ag3'' O7 . 1_565 2.485(11) yes Ag3'' O8 . . 2.872(10) yes Ag4 Ag4' . . 0.471(17) yes Ag4 O1 . 6_555 2.311(9) yes Ag4 O2 . . 2.901(10) yes Ag4 O3 . 6_555 2.891(10) yes Ag4 O5 . 5_555 2.840(8) yes Ag4 O6 . . 2.576(13) yes Ag4 O10 . . 2.247(9) yes Ag4' O1 . 6_555 2.263(8) yes Ag4' O3 . 6_555 2.958(9) yes Ag4' O6 . . 2.913(15) yes Ag4' O10 . . 2.275(9) yes Ag4' O14 . 7_566 2.752(10) yes O1 O2 . . 2.539(5) yes O1 O3 . . 2.545(5) yes O1 O4 . . 2.520(5) yes O1 O4 . 2_655 2.951(5) yes O2 O2 . 2_655 2.903(5) yes O2 O3 . . 2.538(4) yes O2 O3 . 6_555 2.928(5) yes O2 O4 . . 2.496(5) yes O2 O4 . 6_555 2.904(4) yes O2 O5 . 5_555 2.883(5) yes O2 O5 . 6_555 2.821(5) yes O3 O3 . 2_555 2.774(5) yes O3 O4 . . 2.480(4) yes O3 O5 . . 2.792(5) yes O3 O5 . 2_555 2.875(5) yes O4 O5 . . 2.545(4) yes O4 O6 . . 2.525(5) yes O4 O7 . . 2.437(4) yes O5 O6 . . 2.516(5) yes O5 O7 . . 2.513(5) yes O6 O7 . . 2.572(5) yes O7 O8 . 1_545 2.786(4) yes O7 O9 . 5_445 2.917(5) yes O7 O13 . 3_666 2.806(4) yes O7 O14 . 7_556 2.846(4) yes O8 O9 . . 2.528(4) yes O8 O10 . . 2.534(5) yes O8 O11 . . 2.511(4) yes O8 O12 . . 2.781(4) yes O8 O13 . 3_676 2.842(4) yes O8 O14 . 7_566 2.912(4) yes O9 O10 . . 2.516(4) yes O9 O11 . . 2.494(4) yes O9 O12 . 5_545 2.839(4) yes O9 O13 . 7_666 2.733(4) yes O9 O14 . 3_666 2.913(4) yes O10 O11 . . 2.516(4) yes O11 O11 . 3_666 2.776(4) yes O11 O12 . . 2.514(4) yes O11 O12 . 7_566 2.924(4) yes O11 O13 . . 2.528(4) yes O11 O14 . . 2.474(4) yes O12 O13 . . 2.526(4) yes O12 O13 . 3_676 2.903(4) yes O12 O14 . . 2.546(4) yes O12 O14 . 7_566 2.805(4) yes O13 O14 . . 2.489(4) yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag P2 P1 O1 . . . 133.84(15) yes P2 P1 O2 . . . 96.73(13) yes P2 P1 O3 . . . 81.43(13) yes O1 P1 O2 . . . 114.3(2) yes O1 P1 O3 . . . 113.62(19) yes O1 P1 O4 . . . 106.99(18) yes O2 P1 O3 . . . 112.53(18) yes O2 P1 O4 . . . 104.96(17) yes O3 P1 O4 . . . 103.21(17) yes P1 P2 O5 . . . 94.27(13) yes P1 P2 O6 . . . 90.22(14) yes P1 P2 O7 . . . 130.05(14) yes O4 P2 O5 . . . 107.23(17) yes O4 P2 O6 . . . 107.79(19) yes O4 P2 O7 . . . 101.33(17) yes O5 P2 O6 . . . 112.2(2) yes O5 P2 O7 . . . 110.58(19) yes O6 P2 O7 . . . 116.71(18) yes P4 P3 O8 . . . 83.65(13) yes P4 P3 O9 . . . 107.02(13) yes P4 P3 O10 . . . 125.19(14) yes O8 P3 O9 . . . 111.47(18) yes O8 P3 O10 . . . 113.57(18) yes O8 P3 O11 . . . 105.80(17) yes O9 P3 O10 . . . 112.57(19) yes O9 P3 O11 . . . 104.96(17) yes O10 P3 O11 . . . 107.77(18) yes P3 P4 O12 . . . 88.65(12) yes P3 P4 O13 . . . 103.86(13) yes P3 P4 O14 . . . 127.28(12) yes O11 P4 O12 . . . 107.22(16) yes O11 P4 O13 . . . 108.89(18) yes O11 P4 O14 . . . 105.08(17) yes O12 P4 O13 . . . 112.21(18) yes O12 P4 O14 . . . 113.04(17) yes O13 P4 O14 . . . 110.04(18) yes O2 Fe1 O2 5_445 . 6_545 93.47(13) yes O2 Fe1 O3 5_445 . . 174.87(13) yes O2 Fe1 O3 5_445 . 2_555 91.64(13) yes O2 Fe1 O5 5_445 . . 92.96(14) yes O2 Fe1 O5 5_445 . 2_555 90.39(14) yes O2 Fe1 O2 6_545 . 5_445 93.47(13) yes O2 Fe1 O3 6_545 . . 91.64(13) yes O2 Fe1 O3 6_545 . 2_555 174.87(13) yes O2 Fe1 O5 6_545 . . 90.39(14) yes O2 Fe1 O5 6_545 . 2_555 92.96(14) yes O3 Fe1 O3 . . 2_555 83.25(13) yes O3 Fe1 O5 . . . 86.56(13) yes O3 Fe1 O5 . . 2_555 89.79(13) yes O3 Fe1 O3 2_555 . . 83.25(13) yes O3 Fe1 O5 2_555 . . 89.79(13) yes O3 Fe1 O5 2_555 . 2_555 86.56(13) yes O5 Fe1 O5 . . 2_555 175.12(16) yes O5 Fe1 O5 2_555 . . 175.12(16) yes O7 Fe2 O8 1_565 . . 88.42(13) yes O7 Fe2 O9 1_565 . 5_455 93.49(13) yes O7 Fe2 O12 1_565 . . 175.99(13) yes O7 Fe2 O13 1_565 . 3_676 89.08(14) yes O7 Fe2 O14 1_565 . 7_566 89.95(13) yes O8 Fe2 O9 . . 5_455 175.34(12) yes O8 Fe2 O12 . . . 88.11(13) yes O8 Fe2 O13 . . 3_676 90.18(13) yes O8 Fe2 O14 . . 7_566 92.26(12) yes O9 Fe2 O12 5_455 . . 90.13(13) yes O9 Fe2 O13 5_455 . 3_676 85.61(13) yes O9 Fe2 O14 5_455 . 7_566 91.99(12) yes O12 Fe2 O13 . . 3_676 92.92(13) yes O12 Fe2 O14 . . 7_566 88.20(12) yes O13 Fe2 O14 3_676 . 7_566 177.35(13) yes Ag1' Ag1 O6 . . . 61(28) yes Ag1' Ag1 O8 . . 5_445 59(25) yes Ag1' Ag1 O9 . . 5_445 112(25) yes Ag1' Ag1 O10 . . . 82(25) yes Ag1' Ag1 O12 . . 7_566 78(28) yes Ag1' Ag1 O13 . . 3_666 138(28) yes O6 Ag1 O8 . . 5_445 73.2(2) yes O6 Ag1 O9 . . 5_445 77.7(3) yes O6 Ag1 O10 . . . 82.4(3) yes O6 Ag1 O12 . . 7_566 137.7(4) yes O6 Ag1 O13 . . 3_666 78.3(2) yes O8 Ag1 O9 5_445 . 5_445 59.0(2) yes O8 Ag1 O10 5_445 . . 140.0(4) yes O8 Ag1 O12 5_445 . 7_566 78.4(3) yes O8 Ag1 O13 5_445 . 3_666 121.6(3) yes O9 Ag1 O10 5_445 . . 145.1(4) yes O9 Ag1 O12 5_445 . 7_566 113.1(4) yes O9 Ag1 O13 5_445 . 3_666 65.7(2) yes O10 Ag1 O12 . . 7_566 101.0(3) yes O10 Ag1 O13 . . 3_666 82.3(3) yes O12 Ag1 O13 7_566 . 3_666 143.9(3) yes Ag1 Ag1' O6 . . . 115(28) yes Ag1 Ag1' O8 . . 5_445 117(26) yes Ag1 Ag1' O9 . . 5_445 63(24) yes Ag1 Ag1' O10 . . . 93(25) yes Ag1 Ag1' O12 . . 7_566 97(29) yes Ag1 Ag1' O13 . . 3_666 39(26) yes O6 Ag1' O8 . . 5_445 77(3) yes O6 Ag1' O9 . . 5_445 78(3) yes O6 Ag1' O10 . . . 85(4) yes O6 Ag1' O12 . . 7_566 147(4) yes O6 Ag1' O13 . . 3_666 77(3) yes O8 Ag1' O9 5_445 . 5_445 60(2) yes O8 Ag1' O10 5_445 . . 149(5) yes O8 Ag1' O12 5_445 . 7_566 81(3) yes O8 Ag1' O13 5_445 . 3_666 119(3) yes O9 Ag1' O10 5_445 . . 140(4) yes O9 Ag1' O12 5_445 . 7_566 111(4) yes O9 Ag1' O13 5_445 . 3_666 62(2) yes O10 Ag1' O12 . . 7_566 103(4) yes O10 Ag1' O13 . . 3_666 79(3) yes O12 Ag1' O13 7_566 . 3_666 136(4) yes Ag4 Ag2 O1 . . 2_655 131.22(18) yes Ag4 Ag2 O2 . . . 58.87(18) yes Ag4 Ag2 O5 . . 5_555 62.4(2) yes Ag4 Ag2 O6 . . . 54.2(2) yes Ag4 Ag2 O10 . . . 47.88(18) yes Ag4 Ag2 O13 . . 3_666 105.76(18) yes Ag4 Ag2 O14 . . 3_666 122.86(18) yes O1 Ag2 O2 2_655 . . 73.59(10) yes O1 Ag2 O5 2_655 . 5_555 87.95(11) yes O1 Ag2 O6 2_655 . . 116.49(11) yes O1 Ag2 O10 2_655 . . 164.68(12) yes O1 Ag2 O13 2_655 . 3_666 116.75(11) yes O1 Ag2 O14 2_655 . 3_666 101.91(10) yes O2 Ag2 O5 . . 5_555 63.11(9) yes O2 Ag2 O6 . . . 65.80(9) yes O2 Ag2 O10 . . . 106.54(10) yes O2 Ag2 O13 . . 3_666 136.95(9) yes O2 Ag2 O14 . . 3_666 169.49(10) yes O5 Ag2 O6 5_555 . . 112.24(10) yes O5 Ag2 O10 5_555 . . 78.84(11) yes O5 Ag2 O13 5_555 . 3_666 150.23(10) yes O5 Ag2 O14 5_555 . 3_666 107.70(10) yes O6 Ag2 O10 . . . 76.21(11) yes O6 Ag2 O13 . . 3_666 73.01(9) yes O6 Ag2 O14 . . 3_666 124.28(10) yes O10 Ag2 O13 . . 3_666 74.05(10) yes O10 Ag2 O14 . . 3_666 75.21(10) yes O13 Ag2 O14 3_666 . 3_666 53.56(9) yes Ag3' Ag3 Ag3'' . . . 63(6) yes Ag3' Ag3 Ag4 . . 5_555 157(9) yes Ag3' Ag3 Ag4' . . 5_555 160(8) yes Ag3' Ag3 O1 . . 2_665 112(7) yes Ag3' Ag3 O3 . . 5_555 61(7) yes Ag3' Ag3 O3 . . 6_555 12(4) yes Ag3' Ag3 O4 . . 1_565 62(5) yes Ag3' Ag3 O6 . . 5_555 123(5) yes Ag3' Ag3 O7 . . 1_565 78(7) yes Ag3'' Ag3 Ag4 . . 5_555 139(5) yes Ag3'' Ag3 Ag4' . . 5_555 136(5) yes Ag3'' Ag3 O1 . . 2_665 148(4) yes Ag3'' Ag3 O3 . . 5_555 106(4) yes Ag3'' Ag3 O3 . . 6_555 58(4) yes Ag3'' Ag3 O4 . . 1_565 80(3) yes Ag3'' Ag3 O6 . . 5_555 95(4) yes Ag4 Ag3 O1 5_555 . 2_665 53.2(7) yes Ag4 Ag3 O3 5_555 . 5_555 100.4(12) yes Ag4 Ag3 O3 5_555 . 6_555 157.8(17) yes Ag4 Ag3 O4 5_555 . 1_565 118.9(9) yes Ag4 Ag3 O6 5_555 . 5_555 60.1(9) yes Ag4 Ag3 O7 5_555 . 1_565 121.3(14) yes Ag4' Ag3 O1 5_555 . 2_665 49.6(7) yes Ag4' Ag3 O3 5_555 . 5_555 108.5(12) yes Ag4' Ag3 O3 5_555 . 6_555 165.2(18) yes Ag4' Ag3 O4 5_555 . 1_565 111.4(8) yes Ag4' Ag3 O6 5_555 . 5_555 66.5(10) yes Ag4' Ag3 O7 5_555 . 1_565 113.1(13) yes O1 Ag3 O3 2_665 . 5_555 97.0(15) yes O1 Ag3 O3 2_665 . 6_555 123.1(17) yes O1 Ag3 O4 2_665 . 1_565 71.0(8) yes O1 Ag3 O6 2_665 . 5_555 111.2(15) yes O1 Ag3 O7 2_665 . 1_565 106.9(10) yes O3 Ag3 O3 5_555 . 6_555 57.5(7) yes O3 Ag3 O4 5_555 . 1_565 109.8(14) yes O3 Ag3 O6 5_555 . 5_555 79.5(10) yes O3 Ag3 O7 5_555 . 1_565 138.3(13) yes O3 Ag3 O3 6_555 . 5_555 57.5(7) yes O3 Ag3 O4 6_555 . 1_565 72.7(9) yes O3 Ag3 O6 6_555 . 5_555 111.8(9) yes O3 Ag3 O7 6_555 . 1_565 80.8(9) yes O4 Ag3 O6 1_565 . 5_555 170(2) yes O4 Ag3 O7 1_565 . 1_565 51.0(6) yes O6 Ag3 O7 5_555 . 1_565 120.4(17) yes Ag3 Ag3' Ag3'' . . . 86(8) yes Ag3 Ag3' O1 . . 2_665 61(6) yes Ag3 Ag3' O3 . . 5_555 113(7) yes Ag3 Ag3' O3 . . 6_555 166(5) yes Ag3 Ag3' O4 . . 1_565 112(5) yes Ag3 Ag3' O5 . . 5_555 104(5) yes Ag3 Ag3' O6 . . 5_555 50(5) yes Ag3 Ag3' O7 . . 1_565 96(8) yes Ag3'' Ag3' O1 . . 2_665 132.5(17) yes Ag3'' Ag3' O3 . . 5_555 127.7(16) yes Ag3'' Ag3' O3 . . 6_555 87.6(14) yes Ag3'' Ag3' O4 . . 1_565 94.7(14) yes Ag3'' Ag3' O5 . . 5_555 71.1(15) yes Ag3'' Ag3' O6 . . 5_555 77.4(14) yes O1 Ag3' O3 2_665 . 5_555 97.5(3) yes O1 Ag3' O3 2_665 . 6_555 131.3(4) yes O1 Ag3' O4 2_665 . 1_565 71.54(16) yes O1 Ag3' O5 2_665 . 5_555 144.7(3) yes O1 Ag3' O6 2_665 . 5_555 100.8(2) yes O1 Ag3' O7 2_665 . 1_565 104.7(2) yes O3 Ag3' O3 5_555 . 6_555 62.5(2) yes O3 Ag3' O4 5_555 . 1_565 118.4(4) yes O3 Ag3' O5 5_555 . 5_555 57.31(14) yes O3 Ag3' O6 5_555 . 5_555 79.45(19) yes O3 Ag3' O7 5_555 . 1_565 149.6(3) yes O3 Ag3' O3 6_555 . 5_555 62.5(2) yes O3 Ag3' O4 6_555 . 1_565 80.1(2) yes O3 Ag3' O5 6_555 . 5_555 62.73(14) yes O3 Ag3' O6 6_555 . 5_555 116.42(19) yes O3 Ag3' O7 6_555 . 1_565 87.2(2) yes O4 Ag3' O5 1_565 . 5_555 140.2(2) yes O4 Ag3' O6 1_565 . 5_555 160.9(4) yes O4 Ag3' O7 1_565 . 1_565 52.67(15) yes O5 Ag3' O6 5_555 . 5_555 53.88(13) yes O5 Ag3' O7 5_555 . 1_565 108.6(2) yes O6 Ag3' O7 5_555 . 1_565 115.6(4) yes Ag3 Ag3'' O3 . . 6_555 111(4) yes Ag3 Ag3'' O4 . . 1_565 87(3) yes Ag3 Ag3'' O5 . . 5_555 106(3) yes Ag3 Ag3'' O6 . . 5_555 71(3) yes Ag3 Ag3'' O7 . . 1_565 129(3) yes Ag3 Ag3'' O8 . . . 126(4) yes Ag3' Ag3'' O3 . . 6_555 80.0(14) yes Ag3' Ag3'' O4 . . 1_565 73.9(14) yes Ag3' Ag3'' O5 . . 5_555 98.6(16) yes Ag3' Ag3'' O6 . . 5_555 90.1(13) yes Ag3' Ag3'' O7 . . 1_565 129.0(16) yes Ag3' Ag3'' O8 . . . 157.4(15) yes O1 Ag3'' O3 2_665 . 6_555 113.7(4) yes O1 Ag3'' O4 2_665 . 1_565 64.5(3) yes O1 Ag3'' O5 2_665 . 5_555 130.7(4) yes O1 Ag3'' O6 2_665 . 5_555 92.1(4) yes O1 Ag3'' O7 2_665 . 1_565 104.1(5) yes O1 Ag3'' O8 2_665 . . 124.3(4) yes O3 Ag3'' O4 6_555 . 1_565 77.6(3) yes O3 Ag3'' O5 6_555 . 5_555 64.4(3) yes O3 Ag3'' O6 6_555 . 5_555 117.3(5) yes O3 Ag3'' O7 6_555 . 1_565 95.1(4) yes O3 Ag3'' O8 6_555 . . 120.8(5) yes O4 Ag3'' O5 1_565 . 5_555 142.0(4) yes O4 Ag3'' O6 1_565 . 5_555 156.3(6) yes O4 Ag3'' O7 1_565 . 1_565 55.7(3) yes O4 Ag3'' O8 1_565 . . 116.5(4) yes O5 Ag3'' O6 5_555 . 5_555 56.2(3) yes O5 Ag3'' O7 5_555 . 1_565 125.1(5) yes O5 Ag3'' O8 5_555 . . 84.8(4) yes O6 Ag3'' O7 5_555 . 1_565 134.2(4) yes O6 Ag3'' O8 5_555 . . 73.2(3) yes O7 Ag3'' O8 1_565 . . 62.2(2) yes Ag2 Ag4 Ag3 . . 5_445 105.2(7) yes Ag2 Ag4 Ag4' . . . 142.6(14) yes Ag2 Ag4 O1 . . 6_555 138.9(4) yes Ag2 Ag4 O2 . . . 60.9(2) yes Ag2 Ag4 O3 . . 6_555 104.5(3) yes Ag2 Ag4 O5 . . 5_555 51.12(16) yes Ag2 Ag4 O6 . . . 58.1(3) yes Ag2 Ag4 O10 . . . 56.0(2) yes Ag3 Ag4 Ag4' 5_445 . . 103.2(15) yes Ag3 Ag4 O1 5_445 . 6_555 52.3(7) yes Ag3 Ag4 O2 5_445 . . 74.2(9) yes Ag3 Ag4 O3 5_445 . 6_555 100.7(9) yes Ag3 Ag4 O5 5_445 . 5_555 134.4(9) yes Ag3 Ag4 O6 5_445 . . 50.6(6) yes Ag3 Ag4 O10 5_445 . . 126.6(9) yes Ag4' Ag4 O1 . . 6_555 78.3(13) yes Ag4' Ag4 O2 . . . 152.3(17) yes Ag4' Ag4 O3 . . 6_555 93.5(18) yes Ag4' Ag4 O5 . . 5_555 117.9(16) yes Ag4' Ag4 O6 . . . 131.9(17) yes Ag4' Ag4 O10 . . . 87.4(13) yes O1 Ag4 O2 6_555 . . 78.8(3) yes O1 Ag4 O3 6_555 . 6_555 57.3(2) yes O1 Ag4 O5 6_555 . 5_555 116.1(4) yes O1 Ag4 O6 6_555 . . 101.2(3) yes O1 Ag4 O10 6_555 . . 164.3(5) yes O2 Ag4 O3 . . 6_555 60.74(19) yes O2 Ag4 O5 . . 5_555 60.29(19) yes O2 Ag4 O6 . . . 68.2(3) yes O2 Ag4 O10 . . . 116.7(4) yes O3 Ag4 O5 6_555 . 5_555 60.20(19) yes O3 Ag4 O6 6_555 . . 127.1(4) yes O3 Ag4 O10 6_555 . . 131.1(3) yes O5 Ag4 O6 5_555 . . 105.5(4) yes O5 Ag4 O10 5_555 . . 76.4(2) yes O6 Ag4 O10 . . . 83.4(4) yes Ag3 Ag4' Ag4 5_445 . . 67.8(15) yes Ag3 Ag4' O1 5_445 . 6_555 50.3(7) yes Ag3 Ag4' O3 5_445 . 6_555 95.9(9) yes Ag3 Ag4' O6 5_445 . . 46.3(6) yes Ag3 Ag4' O10 5_445 . . 119.2(9) yes Ag3 Ag4' O14 5_445 . 7_566 103.0(8) yes Ag4 Ag4' O1 . . 6_555 89.9(13) yes Ag4 Ag4' O3 . . 6_555 77.3(16) yes Ag4 Ag4' O10 . . . 80.6(14) yes Ag4 Ag4' O14 . . 7_566 151.9(19) yes O1 Ag4' O3 6_555 . 6_555 56.5(2) yes O1 Ag4' O6 6_555 . . 93.0(4) yes O1 Ag4' O10 6_555 . . 168.5(7) yes O1 Ag4' O14 6_555 . 7_566 104.5(4) yes O3 Ag4' O6 6_555 . . 113.1(3) yes O3 Ag4' O10 6_555 . . 126.6(3) yes O3 Ag4' O14 6_555 . 7_566 130.8(5) yes O6 Ag4' O10 . . . 75.6(4) yes O6 Ag4' O14 . . 7_566 112.8(3) yes O10 Ag4' O14 . . 7_566 81.6(2) yes P1 O1 Ag2 . . 2_655 127.2(2) yes P1 O1 Ag3 . . 2_645 138.9(11) yes P1 O1 Ag3' . . 2_645 135.4(3) yes P1 O1 Ag3'' . . 2_645 143.5(3) yes P1 O1 Ag4 . . 6_545 106.3(3) yes P1 O1 Ag4' . . 6_545 109.1(3) yes P1 O1 O4 . . 2_655 123.08(18) yes Ag2 O1 Ag3 2_655 . 2_645 93.2(10) yes Ag2 O1 Ag3' 2_655 . 2_645 95.3(2) yes Ag2 O1 Ag3'' 2_655 . 2_645 87.7(3) yes Ag2 O1 Ag4 2_655 . 6_545 93.2(3) yes Ag2 O1 Ag4' 2_655 . 6_545 82.5(3) yes Ag2 O1 O2 2_655 . . 97.64(15) yes Ag2 O1 O3 2_655 . . 125.86(16) yes Ag2 O1 O4 2_655 . . 152.09(17) yes Ag2 O1 O4 2_655 . 2_655 66.49(10) yes Ag3 O1 Ag4 2_645 . 6_545 74.5(10) yes Ag3 O1 Ag4' 2_645 . 6_545 80.1(11) yes Ag3 O1 O2 2_645 . . 153.7(11) yes Ag3 O1 O3 2_645 . . 129.6(9) yes Ag3 O1 O4 2_645 . . 102.5(11) yes Ag3 O1 O4 2_645 . 2_655 61.9(9) yes Ag3' O1 Ag4 2_645 . 6_545 81.0(4) yes Ag3' O1 Ag4' 2_645 . 6_545 86.9(4) yes Ag3' O1 O2 2_645 . . 146.8(3) yes Ag3' O1 O3 2_645 . . 131.4(2) yes Ag3' O1 O4 2_645 . . 97.9(3) yes Ag3' O1 O4 2_645 . 2_655 57.33(17) yes Ag3'' O1 Ag4 2_645 . 6_545 78.4(3) yes Ag3'' O1 Ag4' 2_645 . 6_545 83.0(4) yes Ag3'' O1 O2 2_645 . . 151.9(2) yes Ag3'' O1 O3 2_645 . . 136.1(3) yes Ag3'' O1 O4 2_645 . . 106.0(3) yes Ag3'' O1 O4 2_645 . 2_655 56.2(2) yes Ag4 O1 O2 6_545 . . 128.3(3) yes Ag4 O1 O3 6_545 . . 72.9(2) yes Ag4 O1 O4 6_545 . . 113.1(3) yes Ag4 O1 O4 6_545 . 2_655 129.5(3) yes Ag4' O1 O2 6_545 . . 125.0(4) yes Ag4' O1 O3 6_545 . . 75.7(2) yes Ag4' O1 O4 6_545 . . 122.6(3) yes Ag4' O1 O4 6_545 . 2_655 127.8(3) yes O2 O1 O3 . . . 59.91(13) yes O2 O1 O4 . . . 59.12(13) yes O2 O1 O4 . . 2_655 100.85(14) yes O3 O1 O4 . . . 58.65(12) yes O3 O1 O4 . . 2_655 156.41(16) yes O4 O1 O4 . . 2_655 100.70(14) yes O4 O1 O4 2_655 . . 100.70(14) yes P1 O2 Fe1 . . 5_555 140.8(2) yes P1 O2 Ag2 . . . 104.60(15) yes P1 O2 Ag4 . . . 130.5(3) yes P1 O2 O2 . . 2_655 104.03(17) yes P1 O2 O3 . . 6_555 151.14(19) yes P1 O2 O4 . . 6_555 100.84(16) yes P1 O2 O5 . . 5_555 148.98(19) yes P1 O2 O5 . . 6_555 105.75(17) yes Fe1 O2 Ag2 5_555 . . 91.69(11) yes Fe1 O2 Ag4 5_555 . . 88.5(2) yes Fe1 O2 O1 5_555 . . 108.17(16) yes Fe1 O2 O3 5_555 . . 148.49(18) yes Fe1 O2 O3 5_555 . 6_555 45.47(9) yes Fe1 O2 O4 5_555 . . 144.37(17) yes Fe1 O2 O4 5_555 . 6_555 80.78(12) yes Ag2 O2 Ag4 . . . 60.20(19) yes Ag2 O2 O1 . . . 111.12(13) yes Ag2 O2 O2 . . 2_655 80.22(10) yes Ag2 O2 O3 . . . 119.69(14) yes Ag2 O2 O3 . . 6_555 103.01(12) yes Ag2 O2 O4 . . . 66.15(10) yes Ag2 O2 O4 . . 6_555 147.60(14) yes Ag2 O2 O5 . . 5_555 50.52(9) yes Ag2 O2 O5 . . 6_555 134.82(13) yes Ag4 O2 O1 . . . 161.9(3) yes Ag4 O2 O2 . . 2_655 117.17(19) yes Ag4 O2 O3 . . . 108.6(2) yes Ag4 O2 O3 . . 6_555 59.5(2) yes Ag4 O2 O4 . . . 102.3(3) yes Ag4 O2 O4 . . 6_555 88.0(2) yes Ag4 O2 O5 . . 5_555 58.81(17) yes Ag4 O2 O5 . . 6_555 117.5(3) yes O1 O2 O2 . . 2_655 73.86(13) yes O1 O2 O3 . . . 60.16(13) yes O1 O2 O3 . . 6_555 137.81(16) yes O1 O2 O4 . . . 60.06(13) yes O1 O2 O4 . . 6_555 101.14(14) yes O1 O2 O5 . . 5_555 130.05(16) yes O1 O2 O5 . . 6_555 80.10(14) yes O2 O2 O3 2_655 . . 133.72(16) yes O2 O2 O3 2_655 . 6_555 88.74(12) yes O2 O2 O4 2_655 . . 103.22(14) yes O2 O2 O4 2_655 . 6_555 112.67(14) yes O2 O2 O5 2_655 . 5_555 58.36(11) yes O2 O2 O5 2_655 . 6_555 60.47(11) yes O3 O2 O3 . . 6_555 121.46(15) yes O3 O2 O4 . . . 59.04(12) yes O3 O2 O4 . . 6_555 73.88(12) yes O3 O2 O5 . . 5_555 166.15(17) yes O3 O2 O5 . . 6_555 104.06(15) yes O3 O2 O3 6_555 . . 121.46(15) yes O3 O2 O4 6_555 . . 161.64(17) yes O3 O2 O4 6_555 . 6_555 50.34(10) yes O3 O2 O5 6_555 . 5_555 59.29(11) yes O3 O2 O5 6_555 . 6_555 58.08(11) yes O4 O2 O4 . . 6_555 132.73(15) yes O4 O2 O5 . . 5_555 115.35(15) yes O4 O2 O5 . . 6_555 140.12(17) yes O4 O2 O4 6_555 . . 132.73(15) yes O4 O2 O5 6_555 . 5_555 109.45(14) yes O4 O2 O5 6_555 . 6_555 52.76(11) yes O5 O2 O5 5_555 . 6_555 87.98(13) yes O5 O2 O5 6_555 . 5_555 87.98(13) yes P1 O3 Fe1 . . . 126.02(19) yes P1 O3 Ag3 . . 5_445 102.6(7) yes P1 O3 Ag3 . . 6_545 134.0(8) yes P1 O3 Ag3' . . 5_445 108.1(2) yes P1 O3 Ag3' . . 6_545 133.1(2) yes P1 O3 Ag3'' . . 6_545 127.0(3) yes P1 O3 Ag4 . . 6_545 82.48(19) yes P1 O3 Ag4' . . 6_545 80.56(19) yes P1 O3 O2 . . 6_545 87.85(15) yes P1 O3 O3 . . 2_555 155.2(2) yes P1 O3 O5 . . . 96.68(16) yes P1 O3 O5 . . 2_555 137.97(19) yes Fe1 O3 Ag3 . . 5_445 92.6(6) yes Fe1 O3 Ag3 . . 6_545 98.1(7) yes Fe1 O3 Ag3' . . 5_445 88.89(15) yes Fe1 O3 Ag3' . . 6_545 99.23(17) yes Fe1 O3 Ag3'' . . 6_545 101.2(3) yes Fe1 O3 Ag4 . . 6_545 87.0(2) yes Fe1 O3 Ag4' . . 6_545 95.4(3) yes Fe1 O3 O1 . . . 117.50(16) yes Fe1 O3 O2 . . . 147.56(17) yes Fe1 O3 O3 . . 2_555 48.38(10) yes Fe1 O3 O4 . . . 90.20(14) yes Fe1 O3 O5 . . . 45.14(9) yes Ag3 O3 Ag3 5_445 . 6_545 86.1(11) yes Ag3 O3 Ag3' 5_445 . 6_545 85.1(7) yes Ag3 O3 Ag3'' 5_445 . 6_545 97.2(7) yes Ag3 O3 Ag4 5_445 . 6_545 173.9(7) yes Ag3 O3 Ag4' 5_445 . 6_545 167.4(7) yes Ag3 O3 O1 5_445 . . 134.9(7) yes Ag3 O3 O2 5_445 . . 76.5(7) yes Ag3 O3 O2 5_445 . 6_545 123.2(6) yes Ag3 O3 O3 5_445 . 2_555 57.9(7) yes Ag3 O3 O4 5_445 . . 89.1(7) yes Ag3 O3 O5 5_445 . . 64.3(6) yes Ag3 O3 O5 5_445 . 2_555 117.1(7) yes Ag3 O3 Ag3 6_545 . 5_445 86.1(11) yes Ag3 O3 Ag3' 6_545 . 5_445 82.5(9) yes Ag3 O3 Ag4 6_545 . 6_545 87.9(9) yes Ag3 O3 Ag4' 6_545 . 6_545 83.1(9) yes Ag3 O3 O1 6_545 . . 118.8(9) yes Ag3 O3 O2 6_545 . . 111.3(6) yes Ag3 O3 O2 6_545 . 6_545 125.0(6) yes Ag3 O3 O3 6_545 . 2_555 64.6(8) yes Ag3 O3 O4 6_545 . . 170.6(6) yes Ag3 O3 O5 6_545 . . 126.8(8) yes Ag3 O3 O5 6_545 . 2_555 65.7(6) yes Ag3' O3 Ag3' 5_445 . 6_545 81.6(3) yes Ag3' O3 Ag3'' 5_445 . 6_545 93.8(3) yes Ag3' O3 Ag4 5_445 . 6_545 169.0(2) yes Ag3' O3 Ag4' 5_445 . 6_545 165.4(3) yes Ag3' O3 O1 5_445 . . 140.5(2) yes Ag3' O3 O2 5_445 . . 81.85(17) yes Ag3' O3 O2 5_445 . 6_545 122.17(18) yes Ag3' O3 O3 5_445 . 2_555 52.45(15) yes Ag3' O3 O4 5_445 . . 93.3(2) yes Ag3' O3 O5 5_445 . . 63.99(17) yes Ag3' O3 O5 5_445 . 2_555 111.57(18) yes Ag3' O3 Ag3' 6_545 . 5_445 81.6(3) yes Ag3' O3 Ag4 6_545 . 6_545 89.0(3) yes Ag3' O3 Ag4' 6_545 . 6_545 84.0(3) yes Ag3' O3 O1 6_545 . . 118.8(3) yes Ag3' O3 O2 6_545 . . 109.94(18) yes Ag3' O3 O2 6_545 . 6_545 126.50(19) yes Ag3' O3 O3 6_545 . 2_555 65.0(2) yes Ag3' O3 O4 6_545 . . 169.1(2) yes Ag3' O3 O5 6_545 . . 127.1(2) yes Ag3' O3 O5 6_545 . 2_555 67.22(16) yes Ag3'' O3 Ag4 6_545 . 6_545 77.0(3) yes Ag3'' O3 Ag4' 6_545 . 6_545 71.7(3) yes Ag3'' O3 O1 6_545 . . 107.8(3) yes Ag3'' O3 O2 6_545 . . 110.4(3) yes Ag3'' O3 O2 6_545 . 6_545 120.3(3) yes Ag3'' O3 O3 6_545 . 2_555 74.1(3) yes Ag3'' O3 O4 6_545 . . 166.7(3) yes Ag3'' O3 O5 6_545 . . 136.0(3) yes Ag3'' O3 O5 6_545 . 2_555 63.5(3) yes Ag4 O3 O1 6_545 . . 49.82(16) yes Ag4 O3 O2 6_545 . . 106.9(2) yes Ag4 O3 O2 6_545 . 6_545 59.8(2) yes Ag4 O3 O3 6_545 . 2_555 118.16(19) yes Ag4 O3 O4 6_545 . . 97.0(2) yes Ag4 O3 O5 6_545 . . 118.8(3) yes Ag4 O3 O5 6_545 . 2_555 59.01(17) yes Ag4' O3 O1 6_545 . . 47.85(17) yes Ag4' O3 O2 6_545 . . 101.4(2) yes Ag4' O3 O2 6_545 . 6_545 68.8(3) yes Ag4' O3 O3 6_545 . 2_555 122.0(2) yes Ag4' O3 O4 6_545 . . 100.6(2) yes Ag4' O3 O5 6_545 . . 127.8(3) yes Ag4' O3 O5 6_545 . 2_555 63.9(2) yes O1 O3 O2 . . . 59.93(13) yes O1 O3 O2 . . 6_545 74.80(13) yes O1 O3 O3 . . 2_555 164.95(18) yes O1 O3 O4 . . . 60.18(12) yes O1 O3 O5 . . . 113.15(15) yes O1 O3 O5 . . 2_555 107.65(15) yes O2 O3 O2 . . 6_545 119.81(15) yes O2 O3 O3 . . 2_555 134.19(17) yes O2 O3 O4 . . . 59.63(12) yes O2 O3 O5 . . . 103.72(15) yes O2 O3 O5 . . 2_555 164.99(17) yes O2 O3 O2 6_545 . . 119.81(15) yes O2 O3 O3 6_545 . 2_555 91.26(13) yes O2 O3 O4 6_545 . . 64.31(12) yes O2 O3 O5 6_545 . . 59.04(12) yes O2 O3 O5 6_545 . 2_555 59.58(11) yes O3 O3 O4 2_555 . . 119.08(16) yes O3 O3 O5 2_555 . . 62.18(12) yes O3 O3 O5 2_555 . 2_555 59.22(11) yes O4 O3 O5 . . . 57.35(12) yes O4 O3 O5 . . 2_555 123.66(16) yes O5 O3 O5 . . 2_555 88.71(13) yes O5 O3 O5 2_555 . . 88.71(13) yes P1 O4 P2 . . . 122.55(19) yes P1 O4 Ag3 . . 1_545 131.0(9) yes P1 O4 Ag3' . . 1_545 130.7(3) yes P1 O4 Ag3'' . . 1_545 142.1(3) yes P1 O4 O1 . . 2_655 91.44(15) yes P1 O4 O2 . . 6_545 87.04(14) yes P1 O4 O5 . . . 104.13(16) yes P1 O4 O6 . . . 99.76(16) yes P1 O4 O7 . . . 160.3(2) yes P2 O4 Ag3 . . 1_545 104.9(9) yes P2 O4 Ag3' . . 1_545 106.3(3) yes P2 O4 Ag3'' . . 1_545 95.1(3) yes P2 O4 O1 . . . 154.02(19) yes P2 O4 O1 . . 2_655 125.85(16) yes P2 O4 O2 . . . 108.60(17) yes P2 O4 O2 . . 6_545 94.12(15) yes P2 O4 O3 . . . 92.85(15) yes Ag3 O4 O1 1_545 . . 100.6(10) yes Ag3 O4 O1 1_545 . 2_655 47.1(7) yes Ag3 O4 O2 1_545 . . 120.6(7) yes Ag3 O4 O2 1_545 . 6_545 102.1(7) yes Ag3 O4 O3 1_545 . . 159.2(9) yes Ag3 O4 O5 1_545 . . 122.8(8) yes Ag3 O4 O6 1_545 . . 114.9(9) yes Ag3 O4 O7 1_545 . . 67.7(9) yes Ag3' O4 O1 1_545 . . 98.5(3) yes Ag3' O4 O1 1_545 . 2_655 51.13(15) yes Ag3' O4 O2 1_545 . . 124.63(19) yes Ag3' O4 O2 1_545 . 6_545 96.03(19) yes Ag3' O4 O3 1_545 . . 154.5(3) yes Ag3' O4 O5 1_545 . . 120.7(2) yes Ag3' O4 O6 1_545 . . 119.4(3) yes Ag3' O4 O7 1_545 . . 68.7(3) yes Ag3'' O4 O1 1_545 . . 109.3(3) yes Ag3'' O4 O1 1_545 . 2_655 59.4(3) yes Ag3'' O4 O2 1_545 . . 132.6(3) yes Ag3'' O4 O2 1_545 . 6_545 95.1(3) yes Ag3'' O4 O3 1_545 . . 159.4(3) yes Ag3'' O4 O5 1_545 . . 110.2(3) yes Ag3'' O4 O6 1_545 . . 111.1(3) yes Ag3'' O4 O7 1_545 . . 57.3(2) yes O1 O4 O1 . . 2_655 76.13(13) yes O1 O4 O2 . . . 60.82(13) yes O1 O4 O2 . . 6_545 75.60(13) yes O1 O4 O3 . . . 61.17(13) yes O1 O4 O5 . . . 123.25(15) yes O1 O4 O6 . . . 133.95(17) yes O1 O4 O7 . . . 163.62(18) yes O1 O4 O1 2_655 . . 76.13(13) yes O1 O4 O2 2_655 . . 73.60(13) yes O1 O4 O2 2_655 . 6_545 131.69(14) yes O1 O4 O3 2_655 . . 128.44(15) yes O1 O4 O5 2_655 . . 160.54(15) yes O1 O4 O6 2_655 . . 106.89(15) yes O1 O4 O7 2_655 . . 101.50(14) yes O2 O4 O2 . . 6_545 122.31(15) yes O2 O4 O3 . . . 61.34(13) yes O2 O4 O5 . . . 112.68(16) yes O2 O4 O6 . . . 75.74(14) yes O2 O4 O7 . . . 134.62(17) yes O2 O4 O2 6_545 . . 122.31(15) yes O2 O4 O3 6_545 . . 65.34(12) yes O2 O4 O5 6_545 . . 61.96(12) yes O2 O4 O6 6_545 . . 120.95(15) yes O2 O4 O7 6_545 . . 95.11(14) yes O3 O4 O5 . . . 67.50(13) yes O3 O4 O6 . . . 85.87(15) yes O3 O4 O7 . . . 127.51(17) yes O5 O4 O6 . . . 59.50(13) yes O5 O4 O7 . . . 60.54(13) yes O6 O4 O7 . . . 62.40(13) yes P2 O5 Fe1 . . . 127.4(2) yes P2 O5 Ag2 . . 5_445 110.53(17) yes P2 O5 Ag3' . . 5_445 83.5(2) yes P2 O5 Ag3'' . . 5_445 85.8(3) yes P2 O5 Ag4 . . 5_445 137.8(3) yes P2 O5 O2 . . 5_445 159.8(2) yes P2 O5 O2 . . 6_545 99.60(17) yes P2 O5 O3 . . . 83.65(16) yes P2 O5 O3 . . 2_555 129.9(2) yes Fe1 O5 Ag2 . . 5_445 107.25(15) yes Fe1 O5 Ag3' . . 5_445 86.8(2) yes Fe1 O5 Ag3'' . . 5_445 93.3(2) yes Fe1 O5 Ag4 . . 5_445 90.5(2) yes Fe1 O5 O3 . . . 48.29(10) yes Fe1 O5 O3 . . 2_555 46.59(10) yes Fe1 O5 O4 . . . 90.81(14) yes Fe1 O5 O6 . . . 127.19(18) yes Fe1 O5 O7 . . . 139.37(18) yes Ag2 O5 Ag3' 5_445 . 5_445 144.1(2) yes Ag2 O5 Ag3'' 5_445 . 5_445 134.0(2) yes Ag2 O5 Ag4 5_445 . 5_445 66.5(3) yes Ag2 O5 O2 5_445 . 5_445 66.36(10) yes Ag2 O5 O2 5_445 . 6_545 90.37(13) yes Ag2 O5 O3 5_445 . . 152.00(16) yes Ag2 O5 O3 5_445 . 2_555 118.11(14) yes Ag2 O5 O4 5_445 . . 123.07(15) yes Ag2 O5 O6 5_445 . . 125.48(15) yes Ag2 O5 O7 5_445 . . 76.28(12) yes Ag3' O5 Ag4 5_445 . 5_445 80.8(3) yes Ag3' O5 O2 5_445 . 5_445 110.97(19) yes Ag3' O5 O2 5_445 . 6_545 120.7(2) yes Ag3' O5 O3 5_445 . . 58.7(2) yes Ag3' O5 O3 5_445 . 2_555 50.05(18) yes Ag3' O5 O4 5_445 . . 88.61(18) yes Ag3' O5 O6 5_445 . . 52.91(18) yes Ag3' O5 O7 5_445 . . 114.4(2) yes Ag3'' O5 Ag4 5_445 . 5_445 72.7(3) yes Ag3'' O5 O2 5_445 . 5_445 110.9(2) yes Ag3'' O5 O2 5_445 . 6_545 130.3(2) yes Ag3'' O5 O3 5_445 . . 68.9(2) yes Ag3'' O5 O3 5_445 . 2_555 52.1(2) yes Ag3'' O5 O4 5_445 . . 96.5(3) yes Ag3'' O5 O6 5_445 . . 53.2(2) yes Ag3'' O5 O7 5_445 . . 113.5(2) yes Ag4 O5 O2 5_445 . 5_445 60.9(2) yes Ag4 O5 O2 5_445 . 6_545 122.1(2) yes Ag4 O5 O3 5_445 . . 119.3(2) yes Ag4 O5 O3 5_445 . 2_555 60.8(2) yes Ag4 O5 O4 5_445 . . 169.2(3) yes Ag4 O5 O6 5_445 . . 111.3(3) yes Ag4 O5 O7 5_445 . . 125.5(2) yes O2 O5 O2 5_445 . 6_545 61.18(11) yes O2 O5 O3 5_445 . . 91.84(13) yes O2 O5 O3 5_445 . 2_555 61.13(11) yes O2 O5 O4 5_445 . . 125.72(15) yes O2 O5 O6 5_445 . . 163.87(18) yes O2 O5 O7 5_445 . . 134.59(17) yes O2 O5 O2 6_545 . 5_445 61.18(11) yes O2 O5 O3 6_545 . . 62.88(12) yes O2 O5 O3 6_545 . 2_555 91.43(13) yes O2 O5 O4 6_545 . . 65.28(12) yes O2 O5 O6 6_545 . . 124.60(16) yes O2 O5 O7 6_545 . . 95.49(14) yes O3 O5 O3 . . 2_555 58.61(11) yes O3 O5 O4 . . . 55.15(11) yes O3 O5 O6 . . . 79.76(14) yes O3 O5 O7 . . . 112.38(15) yes O3 O5 O3 2_555 . . 58.61(11) yes O3 O5 O4 2_555 . . 113.36(15) yes O3 O5 O6 2_555 . . 102.81(16) yes O3 O5 O7 2_555 . . 164.06(18) yes O4 O5 O6 . . . 59.87(13) yes O4 O5 O7 . . . 57.62(12) yes O6 O5 O7 . . . 61.52(13) yes P2 O6 Ag1 . . . 129.0(3) yes P2 O6 Ag1' . . . 133(2) yes P2 O6 Ag2 . . . 95.36(18) yes P2 O6 Ag3 . . 5_445 109.9(8) yes P2 O6 Ag3' . . 5_445 103.9(2) yes P2 O6 Ag3'' . . 5_445 103.9(4) yes P2 O6 Ag4 . . . 148.9(3) yes P2 O6 Ag4' . . . 155.6(3) yes Ag1 O6 Ag2 . . . 84.2(2) yes Ag1 O6 Ag3 . . 5_445 108.1(11) yes Ag1 O6 Ag3' . . 5_445 112.6(3) yes Ag1 O6 Ag3'' . . 5_445 104.7(3) yes Ag1 O6 Ag4 . . . 76.9(3) yes Ag1 O6 Ag4' . . . 72.1(2) yes Ag1 O6 O4 . . . 146.0(3) yes Ag1 O6 O5 . . . 130.9(2) yes Ag1 O6 O7 . . . 98.6(2) yes Ag1' O6 Ag2 . . . 86(2) yes Ag1' O6 Ag3 . . 5_445 104(2) yes Ag1' O6 Ag3' . . 5_445 108(2) yes Ag1' O6 Ag3'' . . 5_445 101(2) yes Ag1' O6 Ag4 . . . 74(2) yes Ag1' O6 Ag4' . . . 69(2) yes Ag1' O6 O4 . . . 150(2) yes Ag1' O6 O5 . . . 132(2) yes Ag1' O6 O7 . . . 103(2) yes Ag2 O6 Ag3 . . 5_445 130.9(9) yes Ag2 O6 Ag3' . . 5_445 134.0(2) yes Ag2 O6 Ag3'' . . 5_445 145.2(3) yes Ag2 O6 Ag4 . . . 67.71(19) yes Ag2 O6 Ag4' . . . 72.62(18) yes Ag2 O6 O4 . . . 70.11(12) yes Ag2 O6 O5 . . . 128.33(16) yes Ag2 O6 O7 . . . 82.13(13) yes Ag3 O6 Ag4 5_445 . . 69.4(7) yes Ag3 O6 Ag4' 5_445 . . 67.2(7) yes Ag3 O6 O4 5_445 . . 105.5(11) yes Ag3 O6 O5 5_445 . . 79.2(7) yes Ag3 O6 O7 5_445 . . 138.4(7) yes Ag3' O6 Ag4 5_445 . . 74.8(2) yes Ag3' O6 Ag4' 5_445 . . 72.9(2) yes Ag3' O6 O4 5_445 . . 101.3(3) yes Ag3' O6 O5 5_445 . . 73.21(17) yes Ag3' O6 O7 5_445 . . 132.4(2) yes Ag3'' O6 Ag4 5_445 . . 81.4(4) yes Ag3'' O6 Ag4' 5_445 . . 78.2(4) yes Ag3'' O6 O4 5_445 . . 109.1(3) yes Ag3'' O6 O5 5_445 . . 70.5(3) yes Ag3'' O6 O7 5_445 . . 128.0(4) yes Ag4 O6 O4 . . . 111.3(2) yes Ag4 O6 O5 . . . 144.2(2) yes Ag4 O6 O7 . . . 149.8(2) yes Ag4' O6 O4 . . . 118.1(2) yes Ag4' O6 O5 . . . 144.8(2) yes Ag4' O6 O7 . . . 153.7(2) yes O4 O6 O5 . . . 60.63(13) yes O4 O6 O7 . . . 57.12(12) yes O5 O6 O7 . . . 59.19(13) yes P2 O7 Fe2 . . 1_545 133.7(2) yes P2 O7 Ag3 . . 1_545 101.6(7) yes P2 O7 Ag3' . . 1_545 99.4(2) yes P2 O7 Ag3'' . . 1_545 107.8(3) yes P2 O7 O8 . . 1_545 164.0(2) yes P2 O7 O9 . . 5_445 91.50(16) yes P2 O7 O13 . . 3_666 106.54(17) yes P2 O7 O14 . . 7_556 131.2(2) yes Fe2 O7 Ag3 1_545 . 1_545 112.5(8) yes Fe2 O7 Ag3' 1_545 . 1_545 117.3(2) yes Fe2 O7 Ag3'' 1_545 . 1_545 110.5(3) yes Fe2 O7 O4 1_545 . . 157.02(18) yes Fe2 O7 O5 1_545 . . 129.27(18) yes Fe2 O7 O6 1_545 . . 105.43(15) yes Fe2 O7 O8 1_545 . 1_545 45.98(9) yes Fe2 O7 O13 1_545 . 3_666 45.71(9) yes Fe2 O7 O14 1_545 . 7_556 45.65(9) yes Ag3 O7 O4 1_545 . . 61.3(8) yes Ag3 O7 O5 1_545 . . 118.2(8) yes Ag3 O7 O6 1_545 . . 108.6(5) yes Ag3 O7 O8 1_545 . 1_545 70.0(8) yes Ag3 O7 O9 1_545 . 5_445 147.2(8) yes Ag3 O7 O13 1_545 . 3_666 90.3(8) yes Ag3 O7 O14 1_545 . 7_556 123.8(6) yes Ag3' O7 O4 1_545 . . 58.67(19) yes Ag3' O7 O5 1_545 . . 113.2(2) yes Ag3' O7 O6 1_545 . . 109.77(17) yes Ag3' O7 O8 1_545 . 1_545 73.5(2) yes Ag3' O7 O9 1_545 . 5_445 153.4(2) yes Ag3' O7 O13 1_545 . 3_666 96.4(2) yes Ag3' O7 O14 1_545 . 7_556 123.68(18) yes Ag3'' O7 O4 1_545 . . 67.0(3) yes Ag3'' O7 O5 1_545 . . 119.5(3) yes Ag3'' O7 O6 1_545 . . 117.5(4) yes Ag3'' O7 O8 1_545 . 1_545 65.7(3) yes Ag3'' O7 O9 1_545 . 5_445 150.1(3) yes Ag3'' O7 O13 1_545 . 3_666 94.9(3) yes Ag3'' O7 O14 1_545 . 7_556 115.6(3) yes O4 O7 O5 . . . 61.84(12) yes O4 O7 O6 . . . 60.48(13) yes O4 O7 O8 . . 1_545 130.89(17) yes O4 O7 O9 . . 5_445 129.27(16) yes O4 O7 O13 . . 3_666 111.32(16) yes O4 O7 O14 . . 7_556 157.16(16) yes O5 O7 O6 . . . 59.29(14) yes O5 O7 O8 . . 1_545 161.13(18) yes O5 O7 O9 . . 5_445 89.49(14) yes O5 O7 O13 . . 3_666 132.09(17) yes O5 O7 O14 . . 7_556 101.12(15) yes O6 O7 O8 . . 1_545 136.88(16) yes O6 O7 O9 . . 5_445 68.99(13) yes O6 O7 O13 . . 3_666 75.96(13) yes O6 O7 O14 . . 7_556 126.17(16) yes O8 O7 O9 1_545 . 5_445 89.46(12) yes O8 O7 O13 1_545 . 3_666 61.09(11) yes O8 O7 O14 1_545 . 7_556 62.25(11) yes O9 O7 O13 5_445 . 3_666 57.02(10) yes O9 O7 O14 5_445 . 7_556 60.70(11) yes O13 O7 O14 3_666 . 7_556 91.33(12) yes P3 O8 Fe2 . . . 129.51(19) yes P3 O8 Ag1 . . 5_555 87.0(2) yes P3 O8 Ag1' . . 5_555 91(2) yes P3 O8 Ag3'' . . . 121.0(3) yes P3 O8 O7 . . 1_565 142.29(18) yes P3 O8 O12 . . . 94.65(16) yes P3 O8 O13 . . 3_676 151.64(19) yes P3 O8 O14 . . 7_566 92.09(15) yes Fe2 O8 Ag1 . . 5_555 127.9(2) yes Fe2 O8 Ag1' . . 5_555 126(2) yes Fe2 O8 Ag3'' . . . 96.7(3) yes Fe2 O8 O7 . . 1_565 45.61(9) yes Fe2 O8 O9 . . . 153.97(17) yes Fe2 O8 O10 . . . 118.66(16) yes Fe2 O8 O11 . . . 96.38(14) yes Fe2 O8 O12 . . . 45.83(9) yes Ag1 O8 Ag3'' 5_555 . . 90.5(3) yes Ag1 O8 O7 5_555 . 1_565 126.7(2) yes Ag1 O8 O9 5_555 . . 53.42(19) yes Ag1 O8 O10 5_555 . . 111.2(2) yes Ag1 O8 O11 5_555 . . 95.9(2) yes Ag1 O8 O12 5_555 . . 106.2(2) yes Ag1 O8 O13 5_555 . 3_676 84.6(2) yes Ag1 O8 O14 5_555 . 7_566 165.1(2) yes Ag1' O8 Ag3'' 5_555 . . 87(2) yes Ag1' O8 O7 5_555 . 1_565 123(2) yes Ag1' O8 O9 5_555 . . 57(2) yes Ag1' O8 O10 5_555 . . 114(2) yes Ag1' O8 O11 5_555 . . 100(2) yes Ag1' O8 O12 5_555 . . 107(2) yes Ag1' O8 O13 5_555 . 3_676 82(2) yes Ag1' O8 O14 5_555 . 7_566 166(2) yes Ag3'' O8 O7 . . 1_565 52.1(2) yes Ag3'' O8 O9 . . . 109.3(3) yes Ag3'' O8 O10 . . . 97.6(3) yes Ag3'' O8 O11 . . . 157.4(3) yes Ag3'' O8 O12 . . . 141.6(3) yes Ag3'' O8 O13 . . 3_676 86.2(3) yes Ag3'' O8 O14 . . 7_566 102.6(2) yes O7 O8 O9 1_565 . . 159.61(16) yes O7 O8 O10 1_565 . . 110.38(15) yes O7 O8 O11 1_565 . . 133.92(16) yes O7 O8 O12 1_565 . . 91.42(13) yes O7 O8 O13 1_565 . 3_676 59.80(11) yes O7 O8 O14 1_565 . 7_566 59.89(11) yes O9 O8 O10 . . . 59.61(12) yes O9 O8 O11 . . . 59.33(12) yes O9 O8 O12 . . . 108.33(14) yes O9 O8 O13 . . 3_676 134.01(15) yes O9 O8 O14 . . 7_566 126.17(15) yes O10 O8 O11 . . . 59.83(12) yes O10 O8 O12 . . . 107.43(15) yes O10 O8 O13 . . 3_676 163.63(16) yes O10 O8 O14 . . 7_566 74.37(13) yes O11 O8 O12 . . . 56.44(11) yes O11 O8 O13 . . 3_676 115.97(15) yes O11 O8 O14 . . 7_566 74.65(12) yes O12 O8 O13 . . 3_676 62.15(11) yes O12 O8 O14 . . 7_566 58.99(10) yes O13 O8 O14 3_676 . 7_566 89.27(12) yes P3 O9 Fe2 . . 5_545 143.5(2) yes P3 O9 Ag1 . . 5_555 101.1(3) yes P3 O9 Ag1' . . 5_555 97(2) yes P3 O9 O7 . . 5_555 114.48(17) yes P3 O9 O12 . . 5_545 137.70(19) yes P3 O9 O13 . . 7_666 159.5(2) yes P3 O9 O14 . . 3_666 101.55(16) yes Fe2 O9 Ag1 5_545 . 5_555 108.3(2) yes Fe2 O9 Ag1' 5_545 . 5_555 111(2) yes Fe2 O9 O8 5_545 . . 152.49(17) yes Fe2 O9 O10 5_545 . . 110.18(15) yes Fe2 O9 O11 5_545 . . 141.23(17) yes Fe2 O9 O13 5_545 . 7_666 47.12(9) yes Ag1 O9 O7 5_555 . 5_555 95.2(2) yes Ag1 O9 O8 5_555 . . 67.6(2) yes Ag1 O9 O10 5_555 . . 125.4(2) yes Ag1 O9 O11 5_555 . . 106.3(2) yes Ag1 O9 O12 5_555 . 5_545 112.8(2) yes Ag1 O9 O13 5_555 . 7_666 62.1(2) yes Ag1 O9 O14 5_555 . 3_666 150.8(3) yes Ag1' O9 O7 5_555 . 5_555 95(3) yes Ag1' O9 O8 5_555 . . 63(2) yes Ag1' O9 O10 5_555 . . 121(2) yes Ag1' O9 O11 5_555 . . 105(2) yes Ag1' O9 O12 5_555 . 5_545 117(2) yes Ag1' O9 O13 5_555 . 7_666 65(2) yes Ag1' O9 O14 5_555 . 3_666 152(2) yes O7 O9 O8 5_555 . . 109.54(14) yes O7 O9 O10 5_555 . . 87.83(14) yes O7 O9 O11 5_555 . . 147.86(15) yes O7 O9 O12 5_555 . 5_545 87.62(12) yes O7 O9 O13 5_555 . 7_666 59.44(11) yes O7 O9 O14 5_555 . 3_666 58.45(11) yes O8 O9 O10 . . . 60.31(12) yes O8 O9 O11 . . . 59.99(12) yes O8 O9 O12 . . 5_545 162.83(16) yes O8 O9 O13 . . 7_666 126.15(16) yes O8 O9 O14 . . 3_666 129.90(14) yes O10 O9 O11 . . . 60.29(12) yes O10 O9 O12 . . 5_545 121.81(15) yes O10 O9 O13 . . 7_666 147.24(17) yes O10 O9 O14 . . 3_666 70.32(12) yes O11 O9 O12 . . 5_545 105.05(14) yes O11 O9 O13 . . 7_666 152.44(16) yes O11 O9 O14 . . 3_666 102.96(14) yes O12 O9 O13 5_545 . 7_666 62.77(11) yes O12 O9 O14 5_545 . 3_666 58.37(10) yes O13 O9 O14 7_666 . 3_666 91.40(13) yes P3 O10 Ag1 . . . 122.5(3) yes P3 O10 Ag1' . . . 124(3) yes P3 O10 Ag2 . . . 134.1(2) yes P3 O10 Ag4 . . . 122.7(4) yes P3 O10 Ag4' . . . 113.0(4) yes Ag1 O10 Ag2 . . . 95.8(2) yes Ag1 O10 Ag4 . . . 90.9(3) yes Ag1 O10 Ag4' . . . 91.4(3) yes Ag1 O10 O8 . . . 128.4(3) yes Ag1 O10 O9 . . . 133.1(3) yes Ag1 O10 O11 . . . 84.9(2) yes Ag1' O10 Ag2 . . . 97(3) yes Ag1' O10 Ag4 . . . 86(3) yes Ag1' O10 Ag4' . . . 86(3) yes Ag1' O10 O8 . . . 126(2) yes Ag1' O10 O9 . . . 138(3) yes Ag1' O10 O11 . . . 87(3) yes Ag2 O10 Ag4 . . . 76.1(3) yes Ag2 O10 Ag4' . . . 87.9(3) yes Ag2 O10 O8 . . . 133.85(16) yes Ag2 O10 O9 . . . 101.60(14) yes Ag2 O10 O11 . . . 150.41(16) yes Ag4 O10 O8 . . . 89.1(3) yes Ag4 O10 O9 . . . 135.4(3) yes Ag4 O10 O11 . . . 133.5(3) yes Ag4' O10 O8 . . . 79.4(4) yes Ag4' O10 O9 . . . 132.0(3) yes Ag4' O10 O11 . . . 121.7(3) yes O8 O10 O9 . . . 60.08(12) yes O8 O10 O11 . . . 59.63(12) yes O9 O10 O11 . . . 59.42(13) yes P3 O11 P4 . . . 132.8(2) yes P3 O11 O11 . . 3_666 88.00(14) yes P3 O11 O12 . . . 103.11(16) yes P3 O11 O12 . . 7_566 111.37(15) yes P3 O11 O13 . . . 119.86(18) yes P3 O11 O14 . . . 163.31(19) yes P4 O11 O8 . . . 98.28(16) yes P4 O11 O9 . . . 127.63(18) yes P4 O11 O10 . . . 152.23(19) yes P4 O11 O11 . . 3_666 134.76(17) yes P4 O11 O12 . . 7_566 86.81(15) yes O8 O11 O9 . . . 60.68(12) yes O8 O11 O10 . . . 60.54(12) yes O8 O11 O11 . . 3_666 123.90(15) yes O8 O11 O12 . . . 67.22(12) yes O8 O11 O12 . . 7_566 105.27(13) yes O8 O11 O13 . . . 98.49(15) yes O8 O11 O14 . . . 128.40(16) yes O9 O11 O10 . . . 60.30(13) yes O9 O11 O11 . . 3_666 70.92(13) yes O9 O11 O12 . . . 118.66(16) yes O9 O11 O12 . . 7_566 142.61(15) yes O9 O11 O13 . . . 97.48(15) yes O9 O11 O14 . . . 154.87(17) yes O10 O11 O11 . . 3_666 72.09(12) yes O10 O11 O12 . . . 116.94(15) yes O10 O11 O12 . . 7_566 82.46(13) yes O10 O11 O13 . . . 154.35(18) yes O10 O11 O14 . . . 144.34(17) yes O11 O11 O12 3_666 . . 168.88(16) yes O11 O11 O12 3_666 . 7_566 96.00(13) yes O11 O11 O13 3_666 . . 114.94(14) yes O11 O11 O14 3_666 . . 107.52(14) yes O12 O11 O12 . . 7_566 79.48(12) yes O12 O11 O13 . . . 60.12(12) yes O12 O11 O14 . . . 61.37(12) yes O12 O11 O12 7_566 . . 79.48(12) yes O12 O11 O13 7_566 . . 119.50(15) yes O12 O11 O14 7_566 . . 61.96(11) yes O13 O11 O14 . . . 59.65(12) yes P4 O12 Fe2 . . . 133.38(19) yes P4 O12 Ag1 . . 7_566 111.9(2) yes P4 O12 Ag1' . . 7_566 107(2) yes P4 O12 O8 . . . 89.48(15) yes P4 O12 O9 . . 5_455 167.34(18) yes P4 O12 O11 . . 7_566 104.01(16) yes P4 O12 O13 . . 3_676 133.18(18) yes P4 O12 O14 . . 7_566 107.26(16) yes Fe2 O12 Ag1 . . 7_566 114.6(2) yes Fe2 O12 Ag1' . . 7_566 120(2) yes Fe2 O12 O8 . . . 46.07(9) yes Fe2 O12 O9 . . 5_455 45.19(9) yes Fe2 O12 O11 . . . 96.50(13) yes Fe2 O12 O11 . . 7_566 86.66(11) yes Fe2 O12 O13 . . . 135.02(16) yes Fe2 O12 O14 . . . 143.49(16) yes Fe2 O12 O14 . . 7_566 46.48(9) yes Ag1 O12 O8 7_566 . . 155.2(2) yes Ag1 O12 O9 7_566 . 5_455 70.7(2) yes Ag1 O12 O11 7_566 . . 147.7(2) yes Ag1 O12 O11 7_566 . 7_566 74.3(2) yes Ag1 O12 O13 7_566 . . 99.3(2) yes Ag1 O12 O13 7_566 . 3_676 95.5(2) yes Ag1 O12 O14 7_566 . . 89.9(2) yes Ag1 O12 O14 7_566 . 7_566 118.5(2) yes Ag1' O12 O8 7_566 . . 159(2) yes Ag1' O12 O9 7_566 . 5_455 76(2) yes Ag1' O12 O11 7_566 . . 143(2) yes Ag1' O12 O11 7_566 . 7_566 76(2) yes Ag1' O12 O13 7_566 . . 94(2) yes Ag1' O12 O13 7_566 . 3_676 99(2) yes Ag1' O12 O14 7_566 . . 86(2) yes Ag1' O12 O14 7_566 . 7_566 122(2) yes O8 O12 O9 . . 5_455 91.18(12) yes O8 O12 O11 . . . 56.34(11) yes O8 O12 O11 . . 7_566 113.74(13) yes O8 O12 O13 . . . 91.86(14) yes O8 O12 O13 . . 3_676 59.95(11) yes O8 O12 O14 . . . 114.74(14) yes O8 O12 O14 . . 7_566 62.83(11) yes O9 O12 O11 5_455 . . 136.56(15) yes O9 O12 O11 5_455 . 7_566 64.26(11) yes O9 O12 O13 5_455 . . 158.81(16) yes O9 O12 O13 5_455 . 3_676 56.84(10) yes O9 O12 O14 5_455 . . 137.15(15) yes O9 O12 O14 5_455 . 7_566 62.13(11) yes O11 O12 O11 . . 7_566 100.52(13) yes O11 O12 O13 . . . 60.22(12) yes O11 O12 O13 . . 3_676 113.78(14) yes O11 O12 O14 . . . 58.55(12) yes O11 O12 O14 . . 7_566 76.57(12) yes O11 O12 O11 7_566 . . 100.52(13) yes O11 O12 O13 7_566 . . 132.42(15) yes O11 O12 O13 7_566 . 3_676 120.04(13) yes O11 O12 O14 7_566 . . 73.93(12) yes O11 O12 O14 7_566 . 7_566 51.12(10) yes O13 O12 O13 . . 3_676 107.42(14) yes O13 O12 O14 . . . 58.77(12) yes O13 O12 O14 . . 7_566 136.77(15) yes O13 O12 O13 3_676 . . 107.42(14) yes O13 O12 O14 3_676 . . 165.94(15) yes O13 O12 O14 3_676 . 7_566 90.16(12) yes O14 O12 O14 . . 7_566 98.71(13) yes O14 O12 O14 7_566 . . 98.71(13) yes P4 O13 Fe2 . . 3_676 139.5(2) yes P4 O13 Ag1 . . 3_666 110.1(2) yes P4 O13 Ag1' . . 3_666 111.6(19) yes P4 O13 Ag2 . . 3_666 92.85(15) yes P4 O13 O7 . . 3_666 153.1(2) yes P4 O13 O8 . . 3_676 104.93(16) yes P4 O13 O9 . . 7_666 142.7(2) yes P4 O13 O12 . . 3_676 101.04(16) yes Fe2 O13 Ag1 3_676 . 3_666 98.7(2) yes Fe2 O13 Ag1' 3_676 . 3_666 98.6(19) yes Fe2 O13 Ag2 3_676 . 3_666 120.45(14) yes Fe2 O13 O7 3_676 . 3_666 45.21(9) yes Fe2 O13 O9 3_676 . 7_666 47.28(9) yes Fe2 O13 O11 3_676 . . 137.52(17) yes Fe2 O13 O12 3_676 . . 105.67(15) yes Fe2 O13 O14 3_676 . . 153.04(18) yes Ag1 O13 Ag2 3_666 . 3_666 80.08(19) yes Ag1 O13 O7 3_666 . 3_666 91.9(2) yes Ag1 O13 O8 3_666 . 3_676 142.9(2) yes Ag1 O13 O9 3_666 . 7_666 52.2(2) yes Ag1 O13 O11 3_666 . . 76.2(2) yes Ag1 O13 O12 3_666 . . 134.3(2) yes Ag1 O13 O12 3_666 . 3_676 102.8(2) yes Ag1 O13 O14 3_666 . . 107.1(2) yes Ag1' O13 Ag2 3_666 . 3_666 78(2) yes Ag1' O13 O7 3_666 . 3_666 90(2) yes Ag1' O13 O8 3_666 . 3_676 142.3(19) yes Ag1' O13 O9 3_666 . 7_666 52.6(19) yes Ag1' O13 O11 3_666 . . 78(2) yes Ag1' O13 O12 3_666 . . 137(2) yes Ag1' O13 O12 3_666 . 3_676 105(2) yes Ag1' O13 O14 3_666 . . 106.8(19) yes Ag2 O13 O7 3_666 . 3_666 75.24(10) yes Ag2 O13 O8 3_666 . 3_676 110.27(13) yes Ag2 O13 O9 3_666 . 7_666 112.27(12) yes Ag2 O13 O11 3_666 . . 100.48(13) yes Ag2 O13 O12 3_666 . . 117.07(13) yes Ag2 O13 O12 3_666 . 3_676 163.64(14) yes Ag2 O13 O14 3_666 . . 58.44(10) yes O7 O13 O8 3_666 . 3_676 59.11(11) yes O7 O13 O9 3_666 . 7_666 63.54(12) yes O7 O13 O11 3_666 . . 167.91(16) yes O7 O13 O12 3_666 . . 132.41(16) yes O7 O13 O12 3_666 . 3_676 88.52(12) yes O7 O13 O14 3_666 . . 124.53(16) yes O8 O13 O9 3_676 . 7_666 92.10(13) yes O8 O13 O11 3_676 . . 132.46(15) yes O8 O13 O12 3_676 . . 74.09(12) yes O8 O13 O12 3_676 . 3_676 57.90(11) yes O8 O13 O14 3_676 . . 108.45(14) yes O9 O13 O11 7_666 . . 109.01(15) yes O9 O13 O12 7_666 . . 130.56(16) yes O9 O13 O12 7_666 . 3_676 60.39(11) yes O9 O13 O14 7_666 . . 159.23(17) yes O11 O13 O12 . . . 59.65(12) yes O11 O13 O12 . . 3_676 95.84(14) yes O11 O13 O14 . . . 59.10(12) yes O12 O13 O12 . . 3_676 72.58(12) yes O12 O13 O14 . . . 61.02(12) yes O12 O13 O12 3_676 . . 72.58(12) yes O12 O13 O14 3_676 . . 133.51(15) yes P4 O14 Fe2 . . 7_566 134.65(18) yes P4 O14 Ag2 . . 3_666 102.08(15) yes P4 O14 Ag4' . . 7_566 123.6(3) yes P4 O14 O7 . . 7_556 163.26(19) yes P4 O14 O8 . . 7_566 136.04(17) yes P4 O14 O9 . . 3_666 106.42(16) yes P4 O14 O12 . . 7_566 92.56(14) yes Fe2 O14 Ag2 7_566 . 3_666 108.82(12) yes Fe2 O14 Ag4' 7_566 . 7_566 97.8(3) yes Fe2 O14 O11 7_566 . . 99.10(14) yes Fe2 O14 O12 7_566 . . 125.41(14) yes Fe2 O14 O12 7_566 . 7_566 45.33(9) yes Fe2 O14 O13 7_566 . . 155.24(17) yes Ag2 O14 Ag4' 3_666 . 7_566 71.09(18) yes Ag2 O14 O7 3_666 . 7_556 68.57(9) yes Ag2 O14 O8 3_666 . 7_566 120.13(12) yes Ag2 O14 O9 3_666 . 3_666 89.09(11) yes Ag2 O14 O11 3_666 . . 108.71(13) yes Ag2 O14 O12 3_666 . . 125.36(14) yes Ag2 O14 O12 3_666 . 7_566 148.16(14) yes Ag2 O14 O13 3_666 . . 68.00(11) yes Ag4' O14 O7 7_566 . 7_556 67.8(3) yes Ag4' O14 O8 7_566 . 7_566 65.8(2) yes Ag4' O14 O9 7_566 . 3_666 128.6(3) yes Ag4' O14 O11 7_566 . . 162.0(3) yes Ag4' O14 O12 7_566 . . 104.7(3) yes Ag4' O14 O12 7_566 . 7_566 123.1(2) yes Ag4' O14 O13 7_566 . . 103.8(2) yes O7 O14 O8 7_556 . 7_566 57.86(11) yes O7 O14 O9 7_556 . 3_666 60.86(11) yes O7 O14 O11 7_556 . . 129.56(15) yes O7 O14 O12 7_556 . . 162.45(16) yes O7 O14 O12 7_556 . 7_566 89.67(12) yes O7 O14 O13 7_556 . . 136.02(15) yes O8 O14 O9 7_566 . 3_666 87.15(12) yes O8 O14 O11 7_566 . . 124.86(14) yes O8 O14 O12 7_566 . . 104.70(13) yes O8 O14 O12 7_566 . 7_566 58.18(10) yes O8 O14 O13 7_566 . . 160.15(16) yes O9 O14 O11 3_666 . . 68.82(12) yes O9 O14 O12 3_666 . . 124.65(14) yes O9 O14 O12 3_666 . 7_566 59.50(10) yes O9 O14 O13 3_666 . . 111.82(14) yes O11 O14 O12 . . . 60.07(12) yes O11 O14 O12 . . 7_566 66.93(12) yes O11 O14 O13 . . . 61.25(13) yes O12 O14 O12 . . 7_566 81.29(12) yes O12 O14 O13 . . . 60.21(12) yes O12 O14 O12 7_566 . . 81.29(12) yes O12 O14 O13 7_566 . . 125.77(15) yes #======================================================================= # Attachment 'Ag7Fe3_As2O7_4_100K.cif' #======================================================================= data_1 _database_code_depnum_ccdc_archive 'CCDC 707712' #======================================================================= _audit_creation_method 'Jana2000 Version : 22/12/2005' # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Ag7 As8 Fe3 O28' _chemical_formula_weight 1970 _chemical_melting_point ? _chemical_compound_source ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_space_group_name_Hall '-P 2ycb' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2+y,1/2-z 3 -x,-y,-z 4 x,1/2-y,1/2+z _cell_length_a 9.9139(14) _cell_length_b 8.6068(12) _cell_length_c 28.904(4) _cell_angle_alpha 90 _cell_angle_beta 93.317(2) _cell_angle_gamma 90 _cell_volume 2462.1(6) _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 100 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.3128 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 3579 _exptl_absorpt_coefficient_mu 17.945 _exptl_crystal_description plate-like _exptl_crystal_size_max 0.17 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _exptl_crystal_size_rad 90 _exptl_crystal_colour yellow _exptl_absorpt_correction_type None _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 100 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'BRUKER SMART CCD 1K' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number 19136 _diffrn_reflns_theta_min 2.43 _diffrn_reflns_theta_max 28.65 _diffrn_reflns_theta_full 28.15 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 0.95 _diffrn_reflns_av_R_equivalents 0.0485 _diffrn_reflns_av_sigmaI/netI 0.0435 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -38 _diffrn_reflns_limit_l_max 38 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 5812 _reflns_number_gt 4377 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0409 _refine_ls_wR_factor_gt 0.0410 _refine_ls_R_factor_all 0.0409 _refine_ls_wR_factor_ref 0.0410 _refine_ls_goodness_of_fit_ref 1.82 _refine_ls_goodness_of_fit_gt 1.82 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 4377 _refine_ls_number_parameters 380 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme unit _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0024 _refine_ls_shift/su_mean 0.0002 _refine_diff_density_max 1.87 _refine_diff_density_min -0.90 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 0.084(2) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508 As 0.050 2.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 16.6723 2.6345 6.0701 0.2647 3.4313 12.9479 4.2779 47.797199 2.531 Fe 0.346 0.844 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 11.7695 4.7611 7.3573 0.3072 3.5222 15.3535 2.3045 76.880501 1.0369 Ag -0.897 1.102 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 19.2808 0.6446 16.688499 7.4726 4.8045 24.6605 1.0463 99.815598 5.179 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement '(Jana2000; Petricek and Dusek, 2000)' _computing_molecular_graphics ? _computing_publication_material '(Jana2000; Petricek and Dusek, 2000)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1a Ag 0.48612(8) 0.13234(10) 0.05239(3) Uani 0.0090(2) 4 1 d . . . Ag1b Ag 1.00671(9) -0.63919(10) -0.05821(3) Uani 0.0119(2) 4 1 d . . . Ag2b Ag 0.22841(10) 0.08329(11) 0.14210(3) Uani 0.0135(3) 4 0.955(11) d . . . Ag2a Ag 0.24026(10) 0.10216(10) 0.35093(3) Uani 0.0144(3) 4 0.993(4) d . . . Ag3b Ag -0.21997(11) 0.19339(12) 0.31273(4) Uani 0.0238(3) 4 0.948(5) d . . . Ag3a Ag 0.75814(11) 0.15250(14) 0.16910(4) Uani 0.0226(3) 4 0.902(4) d . . . Ag4a Ag 0.45805(11) 0.35479(13) 0.14929(3) Uani 0.0220(3) 4 0.963(5) d . . . Ag4b Ag 0.0398(8) 0.1302(11) 0.8529(2) Uani 0.071(3) 4 0.239(6) d . . . Fe1 Fe 0.24924(16) 0.34507(16) 0.25059(5) Uani 0.0046(3) 4 1 d . . . Fe2a Fe 0.43017(15) -0.27983(17) 0.06539(5) Uani 0.0044(4) 4 1 d . . . Fe2b Fe 0.93030(15) 0.22051(17) 0.06444(5) Uani 0.0041(4) 4 1 d . . . As1a As 0.54593(11) 0.52849(13) 0.24359(4) Uani 0.0052(3) 4 1 d . . . As1b As -0.05242(11) 0.51664(13) 0.25641(4) Uani 0.0054(3) 4 1 d . . . As2a As 0.47480(11) 0.39758(13) 0.33689(4) Uani 0.0045(3) 4 1 d . . . As2b As 0.02970(11) 0.39208(13) 0.16408(4) Uani 0.0052(3) 4 1 d . . . As3a As 0.74140(11) -0.09622(12) 0.05887(4) Uani 0.0043(3) 4 1 d . . . As3b As 0.76036(11) -0.40703(12) -0.05713(4) Uani 0.0039(3) 4 1 d . . . As4a As 0.16467(10) -0.04486(12) 0.03494(4) Uani 0.0036(3) 4 1 d . . . As4b As 0.66360(11) -0.54593(12) 0.03621(4) Uani 0.0039(3) 4 1 d . . . O1a O 0.6205(7) 0.4593(9) 0.1979(3) Uani 0.007(2) 4 1 d . . . O1b O -0.1279(8) 0.4451(9) 0.3011(3) Uani 0.008(2) 4 1 d . . . O2a O 0.6060(7) 0.6980(9) 0.2645(3) Uani 0.007(2) 4 1 d . . . O2b O 0.1187(8) 0.5239(9) 0.2626(3) Uani 0.009(2) 4 1 d . . . O3a O 0.3752(7) 0.5290(9) 0.2363(3) Uani 0.010(2) 4 1 d . . . O3b O -0.1162(8) 0.6840(9) 0.2349(3) Uani 0.009(2) 4 1 d . . . O4a O 0.5797(7) 0.3977(9) 0.2899(3) Uani 0.009(2) 4 1 d . . . O4b O -0.0791(7) 0.3829(9) 0.2100(2) Uani 0.007(2) 4 1 d . . . O5b O 0.3151(7) 0.3531(9) 0.3170(2) Uani 0.0053(19) 4 1 d . . . O5a O 0.1867(7) 0.3423(9) 0.1836(3) Uani 0.008(2) 4 1 d . . . O6a O 0.4765(8) 0.5736(10) 0.3597(3) Uiso 0.0119(16) 4 1 d . . . O6b O 0.0258(8) 0.5710(10) 0.1432(3) Uiso 0.0116(16) 4 1 d . . . O7a O 0.5429(8) 0.2492(9) 0.3665(2) Uani 0.008(2) 4 1 d . . . O7b O -0.0380(8) 0.2445(9) 0.1324(3) Uani 0.009(2) 4 1 d . . . O8b O 0.7712(7) 0.0858(9) 0.0767(3) Uiso 0.0068(14) 4 1 d . . . O8a O 0.7304(7) -0.5882(9) -0.0758(2) Uiso 0.0066(14) 4 1 d . . . O9a O 0.5745(7) -0.1253(9) 0.0513(3) Uani 0.007(2) 4 1 d . . . O9b O 0.9277(7) -0.3793(9) -0.0503(3) Uani 0.007(2) 4 1 d . . . O10b O 0.8182(7) -0.2343(9) 0.0895(2) Uani 0.007(2) 4 1 d . . . O10a O 0.6813(8) -0.2696(9) -0.0890(3) Uani 0.007(2) 4 1 d . . . O11a O 0.1998(8) 0.1057(9) -0.0026(3) Uani 0.008(2) 4 1 d . . . O11b O 0.6992(7) -0.3946(9) -0.0013(2) Uiso 0.0056(14) 4 1 d . . . O12a O 0.0974(7) -0.1939(9) 0.0042(3) Uani 0.007(2) 4 1 d . . . O12b O 0.5955(7) -0.6905(9) 0.0041(2) Uiso 0.0059(14) 4 1 d . . . O13b O 0.3080(7) -0.0904(9) 0.0647(2) Uiso 0.0061(14) 4 1 d . . . O13a O 0.8069(8) -0.5928(9) 0.0659(3) Uiso 0.0087(15) 4 1 d . . . O14b O 0.0562(7) 0.0349(9) 0.0705(3) Uiso 0.0073(14) 4 1 d . . . O14a O 0.5544(7) -0.4686(9) 0.0713(3) Uiso 0.0071(14) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag1a Ag 0.0108(4) 0.0057(4) 0.0109(4) 0.0013(3) 0.0045(3) 0.0033(3) Ag1b Ag 0.0127(4) 0.0076(4) 0.0161(4) 0.0032(3) 0.0069(3) 0.0054(3) Ag2b Ag 0.0231(5) 0.0109(5) 0.0070(4) 0.0035(4) 0.0063(3) 0.0033(3) Ag2a Ag 0.0235(5) 0.0114(5) 0.0090(4) -0.0065(3) 0.0081(3) -0.0049(3) Ag3b Ag 0.0186(6) 0.0084(5) 0.0424(7) 0.0029(4) -0.0150(4) -0.0060(4) Ag3a Ag 0.0186(6) 0.0283(7) 0.0197(6) -0.0143(4) -0.0097(4) 0.0149(5) Ag4a Ag 0.0264(6) 0.0236(6) 0.0144(5) 0.0035(4) -0.0114(4) -0.0106(4) Ag4b Ag 0.075(5) 0.089(6) 0.044(4) 0.003(5) -0.026(3) -0.031(4) Fe1 Fe 0.0064(6) 0.0048(6) 0.0024(6) -0.0001(6) -0.0011(5) -0.0009(6) Fe2a Fe 0.0063(7) 0.0046(7) 0.0022(6) -0.0004(5) 0.0005(5) -0.0005(5) Fe2b Fe 0.0062(7) 0.0038(7) 0.0023(6) 0.0001(5) 0.0003(5) -0.0002(5) As1a As 0.0067(5) 0.0062(5) 0.0026(5) -0.0013(4) 0.0002(4) 0.0005(4) As1b As 0.0065(5) 0.0063(5) 0.0034(5) 0.0010(4) 0.0001(4) -0.0013(4) As2a As 0.0065(5) 0.0046(5) 0.0023(4) 0.0004(4) -0.0003(4) 0.0005(4) As2b As 0.0072(5) 0.0061(5) 0.0023(4) 0.0003(4) 0.0002(4) -0.0001(4) As3a As 0.0059(5) 0.0035(5) 0.0035(4) -0.0001(4) 0.0014(4) 0.0001(4) As3b As 0.0057(5) 0.0036(5) 0.0025(4) -0.0003(4) 0.0001(4) 0.0004(4) As4a As 0.0048(5) 0.0033(5) 0.0027(4) 0.0000(4) -0.0002(4) -0.0004(4) As4b As 0.0058(5) 0.0033(5) 0.0025(4) 0.0005(4) 0.0000(4) -0.0003(4) O1a O 0.006(3) 0.010(4) 0.006(3) -0.005(3) 0.003(3) 0.001(3) O1b O 0.010(4) 0.006(3) 0.010(4) -0.002(3) 0.007(3) -0.005(3) O2a O 0.007(3) 0.004(3) 0.008(3) -0.002(3) 0.000(3) 0.001(3) O2b O 0.006(3) 0.013(4) 0.006(3) 0.000(3) -0.002(3) 0.002(3) O3a O 0.003(3) 0.013(4) 0.013(4) -0.001(3) -0.004(3) 0.001(3) O3b O 0.013(4) 0.010(4) 0.003(3) 0.003(3) -0.002(3) 0.002(3) O4a O 0.009(3) 0.010(4) 0.006(3) -0.002(3) -0.002(3) 0.001(3) O4b O 0.008(3) 0.010(4) 0.004(3) -0.002(3) 0.002(3) -0.003(3) O5b O 0.004(3) 0.009(3) 0.004(3) 0.001(3) 0.002(3) 0.004(3) O5a O 0.008(3) 0.008(4) 0.007(3) 0.005(3) 0.003(3) -0.002(3) O7a O 0.015(4) 0.005(3) 0.004(3) 0.001(3) -0.004(3) 0.002(3) O7b O 0.016(4) 0.004(3) 0.006(3) 0.001(3) -0.001(3) 0.002(3) O9a O 0.006(3) 0.005(3) 0.011(4) 0.000(3) 0.001(3) 0.001(3) O9b O 0.004(3) 0.007(4) 0.010(3) -0.001(3) 0.002(3) 0.003(3) O10b O 0.009(3) 0.009(4) 0.003(3) 0.001(3) 0.001(3) 0.003(3) O10a O 0.010(4) 0.004(3) 0.008(3) 0.001(3) 0.001(3) 0.001(3) O11a O 0.017(4) 0.002(3) 0.005(3) 0.000(3) 0.006(3) 0.000(3) O12a O 0.007(3) 0.008(3) 0.006(3) -0.004(3) -0.003(3) -0.002(3) #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ag1a O6a . 2_645 2.596(8) yes Ag1a O8b . . 2.901(7) yes Ag1a O9a . . 2.385(8) yes Ag1a O10a . 3_655 2.339(8) yes Ag1a O12b . 1_565 2.372(7) yes Ag1a O13b . . 2.645(7) yes Ag1b O6b . 3_655 2.529(8) yes Ag1b O8a . . 2.792(7) yes Ag1b O9b . . 2.385(8) yes Ag1b O10b . 3_745 2.280(8) yes Ag1b O12a . 3_645 2.398(8) yes Ag1b O13a . 3_745 2.738(8) yes Ag2b O1b . 2_545 2.301(8) yes Ag2b O5a . . 2.576(8) yes Ag2b O6a . 2_645 2.930(8) yes Ag2b O7b . . 2.983(8) yes Ag2b O10a . 3_655 2.427(8) yes Ag2b O13b . . 2.839(7) yes Ag2b O14b . . 2.639(7) yes Ag2a O1a . 2_645 2.375(8) yes Ag2a O3b . 2_545 2.795(7) yes Ag2a O4b . 2_545 2.980(7) yes Ag2a O5b . . 2.502(8) yes Ag2a O6b . 2_545 2.666(8) yes Ag2a O10b . 2_655 2.324(8) yes Ag2a O13a . 2_655 2.992(8) yes Ag3b O1b . . 2.382(8) yes Ag3b O2b . 2_545 2.852(8) yes Ag3b O3a . 2_545 2.474(8) yes Ag3b O4a . 1_455 2.706(8) yes Ag3b O6b . 2_545 2.481(8) yes Ag3b O7a . 1_455 2.932(8) yes Ag3a O2b . 2_645 2.516(8) yes Ag3a O4b . 1_655 2.777(8) yes Ag3a O5b . 2_645 2.714(8) yes Ag3a O6a . 2_645 2.518(8) yes Ag3a O7b . 1_655 2.467(8) yes Ag3a O8b . . 2.742(7) yes Ag4a O1a . . 2.263(7) yes Ag4a O2a . 2_645 2.936(8) yes Ag4a O5a . . 2.922(8) yes Ag4a O6a . 2_645 2.523(8) yes Ag4a O10a . 3_655 2.281(7) yes Ag4a O14a . 1_565 2.924(8) yes Ag4b O1b . 4_555 2.267(11) yes Ag4b O5b . 4_555 2.979(11) yes Ag4b O6b . 3_566 2.657(12) yes Ag4b O10b . 3_656 2.300(11) yes Ag4b O14b . 3_556 2.842(11) yes Fe1 O2a . 2_645 1.981(8) yes Fe1 O2b . . 2.054(8) yes Fe1 O3a . . 2.073(8) yes Fe1 O3b . 2_545 1.975(8) yes Fe1 O5b . . 1.992(7) yes Fe1 O5a . . 2.000(7) yes Fe2a O7a . 2_645 1.987(7) yes Fe2a O8a . 3_645 1.992(8) yes Fe2a O9a . . 2.012(8) yes Fe2a O12b . 3_645 2.026(7) yes Fe2a O13b . . 2.030(8) yes Fe2a O14a . . 2.040(8) yes Fe2b O7b . 1_655 1.982(7) yes Fe2b O8b . . 2.006(8) yes Fe2b O9b . 3_755 2.020(8) yes Fe2b O12a . 3_655 2.001(7) yes Fe2b O13a . 1_565 2.022(8) yes Fe2b O14b . 1_655 2.029(8) yes As1a O1a . . 1.660(8) yes As1a O2a . . 1.675(8) yes As1a O3a . . 1.694(7) yes As1a O4a . . 1.767(8) yes As1b O1b . . 1.648(8) yes As1b O2b . . 1.696(8) yes As1b O3b . . 1.678(8) yes As1b O4b . . 1.776(7) yes As2a O4a . . 1.757(8) yes As2a O5b . . 1.697(7) yes As2a O6a . . 1.652(8) yes As2a O7a . . 1.659(8) yes As2b O4b . . 1.759(7) yes As2b O5a . . 1.680(7) yes As2b O6b . . 1.653(8) yes As2b O7b . . 1.683(8) yes As3a O8b . . 1.670(8) yes As3a O9a . . 1.675(7) yes As3a O10b . . 1.642(7) yes As3a O11a . 3_655 1.762(8) yes As3b O8a . . 1.671(8) yes As3b O9b . . 1.677(7) yes As3b O10a . . 1.667(7) yes As3b O11b . . 1.759(7) yes As4a O11a . . 1.737(8) yes As4a O12a . . 1.676(8) yes As4a O13b . . 1.665(7) yes As4a O14b . . 1.676(8) yes As4b O11b . . 1.744(7) yes As4b O12b . . 1.671(7) yes As4b O13a . . 1.666(7) yes As4b O14a . . 1.665(8) yes O1a O2a . . 2.823(11) yes O1a O3a . . 2.795(11) yes O1a O4a . . 2.764(11) yes O1b O2b . . 2.825(11) yes O1b O3b . . 2.815(11) yes O1b O4a . 1_455 2.927(11) yes O1b O4b . . 2.757(11) yes O2a O3a . . 2.792(10) yes O2a O3a . 2_655 2.856(11) yes O2a O3b . 1_655 2.933(11) yes O2a O4a . . 2.703(11) yes O2a O4a . 2_655 2.913(10) yes O2a O5b . 2_655 2.855(10) yes O2a O5a . 2_655 2.768(10) yes O2b O3a . . 2.697(11) yes O2b O3b . . 2.783(11) yes O2b O3b . 2_545 2.926(11) yes O2b O4b . . 2.700(10) yes O2b O5b . . 2.841(10) yes O2b O5a . . 2.880(11) yes O3a O4a . . 2.726(10) yes O3a O5b . . 2.873(11) yes O3a O5a . . 2.840(11) yes O3b O4b . . 2.720(11) yes O3b O4b . 2_555 2.977(10) yes O3b O5b . 2_555 2.813(10) yes O3b O5a . 2_555 2.844(11) yes O4a O5b . . 2.806(10) yes O4a O6a . . 2.765(11) yes O4a O7a . . 2.599(11) yes O4b O5a . . 2.808(11) yes O4b O6b . . 2.766(11) yes O4b O7b . . 2.592(10) yes O5b O6a . . 2.731(11) yes O5b O7a . . 2.752(10) yes O5a O6b . . 2.750(11) yes O5a O7b . . 2.735(10) yes O6a O7a . . 2.873(11) yes O6a O10a . 4_555 2.969(11) yes O6b O7b . . 2.893(11) yes O7a O8a . 4_545 2.792(10) yes O7a O9a . 2_655 2.913(11) yes O7a O13b . 2_655 2.775(10) yes O7a O14a . 2_655 2.806(11) yes O7b O8b . 1_455 2.771(10) yes O7b O9b . 3_655 2.911(11) yes O7b O13a . 1_465 2.772(11) yes O7b O14b . . 2.743(11) yes O8b O9a . . 2.735(10) yes O8b O10b . . 2.814(11) yes O8b O11a . 3_655 2.732(10) yes O8b O12a . 3_655 2.896(11) yes O8b O13a . 1_565 2.809(11) yes O8b O14b . 1_655 2.875(10) yes O8a O9b . . 2.727(10) yes O8a O10a . . 2.807(11) yes O8a O11b . . 2.754(10) yes O8a O12b . . 2.874(10) yes O8a O13b . 3_645 2.813(11) yes O8a O14a . 3_645 2.875(10) yes O9a O10b . . 2.761(10) yes O9a O11a . 3_655 2.718(11) yes O9a O12b . 3_645 2.758(10) yes O9a O13b . . 2.709(10) yes O9b O10a . . 2.792(10) yes O9b O11b . . 2.744(10) yes O9b O12a . 1_655 2.748(10) yes O9b O13a . 3_745 2.705(10) yes O10b O11a . 3_655 2.741(10) yes O10a O11b . . 2.749(10) yes O11a O11b . 3_655 2.681(11) yes O11a O12a . . 2.783(11) yes O11a O13b . . 2.746(10) yes O11a O14b . . 2.684(11) yes O11b O12b . . 2.754(10) yes O11b O13a . . 2.753(10) yes O11b O14a . . 2.688(11) yes O12a O13b . . 2.791(10) yes O12a O13a . 3_645 2.932(11) yes O12a O14b . . 2.793(11) yes O12a O14b . 3_555 2.911(10) yes O12b O13b . 3_645 2.941(10) yes O12b O13a . . 2.803(10) yes O12b O14a . . 2.772(11) yes O12b O14a . 3_645 2.908(10) yes O13b O14b . . 2.733(10) yes O13a O14a . . 2.736(11) yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O6a Ag1a O8b 2_645 . . 69.8(2) yes O6a Ag1a O9a 2_645 . . 78.5(3) yes O6a Ag1a O10a 2_645 . 3_655 73.8(3) yes O6a Ag1a O12b 2_645 . 1_565 131.1(2) yes O6a Ag1a O13b 2_645 . . 77.6(2) yes O8b Ag1a O9a . . . 61.4(2) yes O8b Ag1a O10a . . 3_655 131.8(2) yes O8b Ag1a O12b . . 1_565 76.1(2) yes O8b Ag1a O13b . . . 121.1(2) yes O9a Ag1a O10a . . 3_655 138.3(3) yes O9a Ag1a O12b . . 1_565 114.2(3) yes O9a Ag1a O13b . . . 64.9(2) yes O10a Ag1a O12b 3_655 . 1_565 107.6(3) yes O10a Ag1a O13b 3_655 . . 79.0(2) yes O12b Ag1a O13b 1_565 . . 151.3(2) yes O6b Ag1b O8a 3_655 . . 73.6(2) yes O6b Ag1b O9b 3_655 . . 81.4(3) yes O6b Ag1b O10b 3_655 . 3_745 77.5(3) yes O6b Ag1b O12a 3_655 . 3_645 137.4(3) yes O6b Ag1b O13a 3_655 . 3_745 78.5(2) yes O8a Ag1b O9b . . . 63.0(2) yes O8a Ag1b O10b . . 3_745 139.8(2) yes O8a Ag1b O12a . . 3_645 76.0(2) yes O8a Ag1b O13a . . 3_745 122.0(2) yes O9b Ag1b O10b . . 3_745 138.4(3) yes O9b Ag1b O12a . . 3_645 110.1(3) yes O9b Ag1b O13a . . 3_745 63.3(2) yes O10b Ag1b O12a 3_745 . 3_645 109.8(3) yes O10b Ag1b O13a 3_745 . 3_745 77.5(3) yes O12a Ag1b O13a 3_645 . 3_745 143.8(2) yes O1b Ag2b O5a 2_545 . . 91.6(3) yes O1b Ag2b O6a 2_545 . 2_645 118.2(2) yes O1b Ag2b O7b 2_545 . . 83.7(2) yes O1b Ag2b O10a 2_545 . 3_655 169.7(3) yes O1b Ag2b O13b 2_545 . . 116.2(2) yes O1b Ag2b O14b 2_545 . . 101.0(2) yes O5a Ag2b O6a . . 2_645 102.7(2) yes O5a Ag2b O7b . . . 58.4(2) yes O5a Ag2b O10a . . 3_655 78.3(2) yes O5a Ag2b O13b . . . 151.8(2) yes O5a Ag2b O14b . . . 112.8(2) yes O6a Ag2b O7b 2_645 . . 153.0(2) yes O6a Ag2b O10a 2_645 . 3_655 66.6(2) yes O6a Ag2b O13b 2_645 . . 69.4(2) yes O6a Ag2b O14b 2_645 . . 125.6(2) yes O7b Ag2b O10a . . 3_655 89.4(2) yes O7b Ag2b O13b . . . 117.1(2) yes O7b Ag2b O14b . . . 58.0(2) yes O10a Ag2b O13b 3_655 . . 73.8(2) yes O10a Ag2b O14b 3_655 . . 81.6(2) yes O13b Ag2b O14b . . . 59.7(2) yes O1a Ag2a O3b 2_645 . 2_545 81.0(2) yes O1a Ag2a O4b 2_645 . 2_545 68.3(2) yes O1a Ag2a O5b 2_645 . . 91.0(2) yes O1a Ag2a O6b 2_645 . 2_545 126.6(2) yes O1a Ag2a O10b 2_645 . 2_655 158.9(3) yes O1a Ag2a O13a 2_645 . 2_655 108.1(2) yes O3b Ag2a O4b 2_545 . 2_545 56.1(2) yes O3b Ag2a O5b 2_545 . . 63.9(2) yes O3b Ag2a O6b 2_545 . 2_545 72.3(2) yes O3b Ag2a O10b 2_545 . 2_655 112.9(2) yes O3b Ag2a O13a 2_545 . 2_655 140.7(2) yes O4b Ag2a O5b 2_545 . . 118.4(2) yes O4b Ag2a O6b 2_545 . 2_545 58.4(2) yes O4b Ag2a O10b 2_545 . 2_655 132.3(2) yes O4b Ag2a O13a 2_545 . 2_655 90.9(2) yes O5b Ag2a O6b . . 2_545 115.4(2) yes O5b Ag2a O10b . . 2_655 82.0(2) yes O5b Ag2a O13a . . 2_655 149.7(2) yes O6b Ag2a O10b 2_545 . 2_655 74.0(3) yes O6b Ag2a O13a 2_545 . 2_655 72.0(2) yes O10b Ag2a O13a 2_655 . 2_655 71.7(2) yes O1b Ag3b O2b . . 2_545 101.7(2) yes O1b Ag3b O3a . . 2_545 132.0(3) yes O1b Ag3b O4a . . 1_455 69.9(2) yes O1b Ag3b O6b . . 2_545 99.6(3) yes O1b Ag3b O7a . . 1_455 104.6(2) yes O2b Ag3b O3a 2_545 . 2_545 60.4(2) yes O2b Ag3b O4a 2_545 . 1_455 115.6(2) yes O2b Ag3b O6b 2_545 . 2_545 83.0(2) yes O2b Ag3b O7a 2_545 . 1_455 144.8(2) yes O3a Ag3b O4a 2_545 . 1_455 79.0(2) yes O3a Ag3b O6b 2_545 . 2_545 119.3(3) yes O3a Ag3b O7a 2_545 . 1_455 84.6(2) yes O4a Ag3b O6b 1_455 . 2_545 159.7(2) yes O4a Ag3b O7a 1_455 . 1_455 54.7(2) yes O6b Ag3b O7a 2_545 . 1_455 114.8(2) yes O2b Ag3a O4b 2_645 . 1_655 74.8(2) yes O2b Ag3a O5b 2_645 . 2_645 65.7(2) yes O2b Ag3a O6a 2_645 . 2_645 122.5(3) yes O2b Ag3a O7b 2_645 . 1_655 96.1(2) yes O2b Ag3a O8b 2_645 . . 128.6(2) yes O4b Ag3a O5b 1_655 . 2_645 140.3(2) yes O4b Ag3a O6a 1_655 . 2_645 146.7(2) yes O4b Ag3a O7b 1_655 . 1_655 58.9(2) yes O4b Ag3a O8b 1_655 . . 120.3(2) yes O5b Ag3a O6a 2_645 . 2_645 62.8(2) yes O5b Ag3a O7b 2_645 . 1_655 127.0(2) yes O5b Ag3a O8b 2_645 . . 88.5(2) yes O6a Ag3a O7b 2_645 . 1_655 135.1(3) yes O6a Ag3a O8b 2_645 . . 73.5(2) yes O7b Ag3a O8b 1_655 . . 64.0(2) yes O1a Ag4a O2a . . 2_645 80.6(2) yes O1a Ag4a O5a . . . 116.1(2) yes O1a Ag4a O6a . . 2_645 105.5(3) yes O1a Ag4a O10a . . 3_655 168.6(3) yes O1a Ag4a O14a . . 1_565 91.1(2) yes O2a Ag4a O5a 2_645 . . 56.4(2) yes O2a Ag4a O6a 2_645 . 2_645 73.5(2) yes O2a Ag4a O10a 2_645 . 3_655 110.5(2) yes O2a Ag4a O14a 2_645 . 1_565 171.7(2) yes O5a Ag4a O6a . . 2_645 104.3(2) yes O5a Ag4a O10a . . 3_655 73.7(2) yes O5a Ag4a O14a . . 1_565 128.9(2) yes O6a Ag4a O10a 2_645 . 3_655 76.2(3) yes O6a Ag4a O14a 2_645 . 1_565 108.8(2) yes O10a Ag4a O14a 3_655 . 1_565 77.8(2) yes O1b Ag4b O5b 4_555 . 4_555 115.8(4) yes O1b Ag4b O6b 4_555 . 3_566 97.6(4) yes O1b Ag4b O10b 4_555 . 3_656 170.0(5) yes O1b Ag4b O14b 4_555 . 3_556 96.1(4) yes O5b Ag4b O6b 4_555 . 3_566 101.5(4) yes O5b Ag4b O10b 4_555 . 3_656 72.5(3) yes O5b Ag4b O14b 4_555 . 3_556 130.6(4) yes O6b Ag4b O10b 3_566 . 3_656 74.5(4) yes O6b Ag4b O14b 3_566 . 3_556 110.9(4) yes O10b Ag4b O14b 3_656 . 3_556 81.3(3) yes O2a Fe1 O2b 2_645 . . 171.1(3) yes O2a Fe1 O3a 2_645 . . 89.5(3) yes O2a Fe1 O3b 2_645 . 2_545 95.7(3) yes O2a Fe1 O5b 2_645 . . 91.9(3) yes O2a Fe1 O5a 2_645 . . 88.1(3) yes O2b Fe1 O3a . . . 81.6(3) yes O2b Fe1 O3b . . 2_545 93.1(3) yes O2b Fe1 O5b . . . 89.2(3) yes O2b Fe1 O5a . . . 90.6(3) yes O3a Fe1 O3b . . 2_545 174.8(3) yes O3a Fe1 O5b . . . 89.9(3) yes O3a Fe1 O5a . . . 88.4(3) yes O3b Fe1 O5b 2_545 . . 90.3(3) yes O3b Fe1 O5a 2_545 . . 91.4(3) yes O5b Fe1 O5a . . . 178.3(3) yes O7a Fe2a O8a 2_645 . 3_645 89.1(3) yes O7a Fe2a O9a 2_645 . . 93.5(3) yes O7a Fe2a O12b 2_645 . 3_645 179.5(3) yes O7a Fe2a O13b 2_645 . . 87.4(3) yes O7a Fe2a O14a 2_645 . . 88.3(3) yes O8a Fe2a O9a 3_645 . . 172.3(3) yes O8a Fe2a O12b 3_645 . 3_645 91.3(3) yes O8a Fe2a O13b 3_645 . . 88.7(3) yes O8a Fe2a O14a 3_645 . . 91.0(3) yes O9a Fe2a O12b . . 3_645 86.2(3) yes O9a Fe2a O13b . . . 84.2(3) yes O9a Fe2a O14a . . . 96.4(3) yes O12b Fe2a O13b 3_645 . . 93.0(3) yes O12b Fe2a O14a 3_645 . . 91.3(3) yes O13b Fe2a O14a . . . 175.7(3) yes O7b Fe2b O8b 1_655 . . 88.1(3) yes O7b Fe2b O9b 1_655 . 3_755 93.3(3) yes O7b Fe2b O12a 1_655 . 3_655 178.6(3) yes O7b Fe2b O13a 1_655 . 1_565 87.6(3) yes O7b Fe2b O14b 1_655 . 1_655 86.3(3) yes O8b Fe2b O9b . . 3_755 172.3(3) yes O8b Fe2b O12a . . 3_655 92.6(3) yes O8b Fe2b O13a . . 1_565 88.5(3) yes O8b Fe2b O14b . . 1_655 90.9(3) yes O9b Fe2b O12a 3_755 . 3_655 86.2(3) yes O9b Fe2b O13a 3_755 . 1_565 84.0(3) yes O9b Fe2b O14b 3_755 . 1_655 96.8(3) yes O12a Fe2b O13a 3_655 . 1_565 93.6(3) yes O12a Fe2b O14b 3_655 . 1_655 92.5(3) yes O13a Fe2b O14b 1_565 . 1_655 173.9(3) yes O1a As1a O2a . . . 115.7(4) yes O1a As1a O3a . . . 112.9(4) yes O1a As1a O4a . . . 107.5(4) yes O2a As1a O3a . . . 112.0(4) yes O2a As1a O4a . . . 103.5(4) yes O3a As1a O4a . . . 103.9(4) yes O1b As1b O2b . . . 115.3(4) yes O1b As1b O3b . . . 115.6(4) yes O1b As1b O4b . . . 107.2(4) yes O2b As1b O3b . . . 111.1(4) yes O2b As1b O4b . . . 102.0(4) yes O3b As1b O4b . . . 103.9(3) yes O4a As2a O5b . . . 108.7(3) yes O4a As2a O6a . . . 108.4(4) yes O4a As2a O7a . . . 99.1(4) yes O5b As2a O6a . . . 109.3(4) yes O5b As2a O7a . . . 110.2(4) yes O6a As2a O7a . . . 120.4(4) yes O4b As2b O5a . . . 109.4(3) yes O4b As2b O6b . . . 108.3(4) yes O4b As2b O7b . . . 97.7(4) yes O5a As2b O6b . . . 111.2(4) yes O5a As2b O7b . . . 108.8(4) yes O6b As2b O7b . . . 120.3(4) yes O8b As3a O9a . . . 109.7(4) yes O8b As3a O10b . . . 116.4(4) yes O8b As3a O11a . . 3_655 105.5(4) yes O9a As3a O10b . . . 112.7(4) yes O9a As3a O11a . . 3_655 104.5(4) yes O10b As3a O11a . . 3_655 107.2(4) yes O8a As3b O9b . . . 109.1(4) yes O8a As3b O10a . . . 114.5(4) yes O8a As3b O11b . . . 106.8(4) yes O9b As3b O10a . . . 113.3(4) yes O9b As3b O11b . . . 106.0(3) yes O10a As3b O11b . . . 106.7(4) yes O11a As4a O12a . . . 109.2(4) yes O11a As4a O13b . . . 107.6(4) yes O11a As4a O14b . . . 103.6(4) yes O12a As4a O13b . . . 113.3(4) yes O12a As4a O14b . . . 112.8(4) yes O13b As4a O14b . . . 109.7(4) yes O11b As4b O12b . . . 107.5(3) yes O11b As4b O13a . . . 107.7(4) yes O11b As4b O14a . . . 104.0(4) yes O12b As4b O13a . . . 114.3(4) yes O12b As4b O14a . . . 112.3(4) yes O13a As4b O14a . . . 110.4(4) yes Ag2a O1a Ag4a 2_655 . . 104.7(3) yes Ag2a O1a As1a 2_655 . . 126.0(4) yes Ag2a O1a O2a 2_655 . . 94.7(3) yes Ag2a O1a O3a 2_655 . . 132.3(3) yes Ag2a O1a O4a 2_655 . . 142.6(3) yes Ag4a O1a As1a . . . 107.6(4) yes Ag4a O1a O2a . . . 130.5(3) yes Ag4a O1a O3a . . . 74.2(3) yes Ag4a O1a O4a . . . 112.5(3) yes O2a O1a O3a . . . 59.6(3) yes O2a O1a O4a . . . 57.9(3) yes O3a O1a O4a . . . 58.7(3) yes Ag2b O1b Ag3b 2_555 . . 100.6(3) yes Ag2b O1b Ag4b 2_555 . 4_554 90.4(3) yes Ag2b O1b As1b 2_555 . . 126.9(4) yes Ag2b O1b O2b 2_555 . . 125.2(3) yes Ag2b O1b O3b 2_555 . . 98.3(3) yes Ag2b O1b O4a 2_555 . 1_455 71.5(3) yes Ag2b O1b O4b 2_555 . . 152.8(4) yes Ag3b O1b Ag4b . . 4_554 85.4(3) yes Ag3b O1b As1b . . . 130.2(4) yes Ag3b O1b O2b . . . 128.4(3) yes Ag3b O1b O3b . . . 142.3(3) yes Ag3b O1b O4a . . 1_455 60.2(2) yes Ag3b O1b O4b . . . 92.8(3) yes Ag4b O1b As1b 4_554 . . 106.0(4) yes Ag4b O1b O2b 4_554 . . 73.2(3) yes Ag4b O1b O3b 4_554 . . 126.9(4) yes Ag4b O1b O4a 4_554 . 1_455 135.8(4) yes Ag4b O1b O4b 4_554 . . 114.4(4) yes As1b O1b O4a . . 1_455 117.2(4) yes O2b O1b O3b . . . 59.1(3) yes O2b O1b O4a . . 1_455 149.8(4) yes O2b O1b O4b . . . 57.8(3) yes O3b O1b O4a . . 1_455 96.1(3) yes O3b O1b O4b . . . 58.4(3) yes O4a O1b O4b 1_455 . . 95.5(3) yes Ag4a O2a Fe1 2_655 . 2_655 95.0(3) yes Ag4a O2a As1a 2_655 . . 128.1(4) yes Ag4a O2a O1a 2_655 . . 159.2(3) yes Ag4a O2a O3a 2_655 . . 105.9(3) yes Ag4a O2a O3a 2_655 . 2_655 64.2(2) yes Ag4a O2a O3b 2_655 . 1_655 121.3(3) yes Ag4a O2a O4a 2_655 . . 100.3(3) yes Ag4a O2a O4a 2_655 . 2_655 91.5(3) yes Ag4a O2a O5b 2_655 . 2_655 124.6(3) yes Ag4a O2a O5a 2_655 . 2_655 61.5(2) yes Fe1 O2a As1a 2_655 . . 136.4(4) yes Fe1 O2a O1a 2_655 . . 104.4(3) yes Fe1 O2a O3a 2_655 . . 149.3(4) yes Fe1 O2a O3a 2_655 . 2_655 46.5(2) yes Fe1 O2a O4a 2_655 . . 138.9(4) yes Fe1 O2a O4a 2_655 . 2_655 87.0(3) yes Fe1 O2a O5a 2_655 . 2_655 46.2(2) yes As1a O2a O3a . . 2_655 152.6(4) yes As1a O2a O3b . . 1_655 100.3(4) yes As1a O2a O4a . . 2_655 96.8(3) yes As1a O2a O5b . . 2_655 102.6(4) yes As1a O2a O5a . . 2_655 145.5(4) yes O1a O2a O3a . . . 59.7(3) yes O1a O2a O3a . . 2_655 135.6(4) yes O1a O2a O3b . . 1_655 71.7(3) yes O1a O2a O4a . . . 60.0(3) yes O1a O2a O4a . . 2_655 96.7(3) yes O1a O2a O5b . . 2_655 75.6(3) yes O1a O2a O5a . . 2_655 129.1(3) yes O3a O2a O3a . . 2_655 124.8(3) yes O3a O2a O3b . . 1_655 131.4(3) yes O3a O2a O4a . . . 59.4(3) yes O3a O2a O4a . . 2_655 70.6(3) yes O3a O2a O5b . . 2_655 105.2(3) yes O3a O2a O5a . . 2_655 164.2(4) yes O3a O2a O3a 2_655 . . 124.8(3) yes O3a O2a O3b 2_655 . 1_655 88.6(3) yes O3a O2a O4a 2_655 . . 164.4(4) yes O3a O2a O4a 2_655 . 2_655 56.4(3) yes O3a O2a O5b 2_655 . 2_655 60.4(3) yes O3a O2a O5a 2_655 . 2_655 60.6(3) yes O3b O2a O4a 1_655 . . 98.5(3) yes O3b O2a O4a 1_655 . 2_655 116.2(3) yes O3b O2a O5b 1_655 . 2_655 58.1(2) yes O3b O2a O5a 1_655 . 2_655 59.8(3) yes O4a O2a O4a . . 2_655 130.0(3) yes O4a O2a O5b . . 2_655 135.0(4) yes O4a O2a O5a . . 2_655 111.2(3) yes O4a O2a O4a 2_655 . . 130.0(3) yes O4a O2a O5b 2_655 . 2_655 58.2(2) yes O4a O2a O5a 2_655 . 2_655 117.0(3) yes O5b O2a O5a 2_655 . 2_655 90.4(3) yes Ag3b O2b Ag3a 2_555 . 2_655 101.4(3) yes Ag3b O2b Fe1 2_555 . . 90.0(3) yes Ag3b O2b As1b 2_555 . . 109.4(3) yes Ag3b O2b O1b 2_555 . . 140.7(3) yes Ag3b O2b O3a 2_555 . . 52.9(2) yes Ag3b O2b O3b 2_555 . . 81.5(3) yes Ag3b O2b O3b 2_555 . 2_545 122.3(3) yes Ag3b O2b O4b 2_555 . . 94.3(3) yes Ag3b O2b O5b 2_555 . . 115.3(3) yes Ag3b O2b O5a 2_555 . . 64.1(2) yes Ag3a O2b Fe1 2_655 . . 100.4(3) yes Ag3a O2b As1b 2_655 . . 122.4(4) yes Ag3a O2b O1b 2_655 . . 100.9(3) yes Ag3a O2b O3a 2_655 . . 78.0(3) yes Ag3a O2b O3b 2_655 . . 111.6(3) yes Ag3a O2b O3b 2_655 . 2_545 115.2(3) yes Ag3a O2b O4b 2_655 . . 160.7(4) yes Ag3a O2b O5b 2_655 . . 60.5(2) yes Ag3a O2b O5a 2_655 . . 137.3(3) yes Fe1 O2b As1b . . . 126.2(4) yes Fe1 O2b O1b . . . 117.1(4) yes Fe1 O2b O3a . . . 49.5(2) yes Fe1 O2b O3b . . . 147.9(4) yes Fe1 O2b O4b . . . 90.7(3) yes As1b O2b O3a . . . 157.5(4) yes As1b O2b O3b . . 2_545 87.5(3) yes As1b O2b O5b . . . 133.5(4) yes As1b O2b O5a . . . 100.1(3) yes O1b O2b O3a . . . 165.1(4) yes O1b O2b O3b . . . 60.2(3) yes O1b O2b O3b . . 2_545 75.0(3) yes O1b O2b O4b . . . 59.8(3) yes O1b O2b O5b . . . 103.8(3) yes O1b O2b O5a . . . 115.4(3) yes O3a O2b O3b . . . 134.2(4) yes O3a O2b O3b . . 2_545 91.9(3) yes O3a O2b O4b . . . 120.9(4) yes O3a O2b O5b . . . 62.4(3) yes O3a O2b O5a . . . 61.1(3) yes O3b O2b O3b . . 2_545 119.6(3) yes O3b O2b O4b . . . 59.5(3) yes O3b O2b O5b . . . 161.9(4) yes O3b O2b O5a . . . 105.7(3) yes O3b O2b O3b 2_545 . . 119.6(3) yes O3b O2b O4b 2_545 . . 63.8(3) yes O3b O2b O5b 2_545 . . 58.4(3) yes O3b O2b O5a 2_545 . . 58.6(3) yes O4b O2b O5b . . . 122.1(4) yes O4b O2b O5a . . . 60.3(3) yes O5b O2b O5a . . . 88.5(3) yes Ag3b O3a Fe1 2_555 . . 100.9(3) yes Ag3b O3a As1a 2_555 . . 131.1(4) yes Ag3b O3a O1a 2_555 . . 115.0(3) yes Ag3b O3a O2a 2_555 . . 110.0(3) yes Ag3b O3a O2a 2_555 . 2_645 127.2(3) yes Ag3b O3a O2b 2_555 . . 66.8(2) yes Ag3b O3a O4a 2_555 . . 168.6(4) yes Ag3b O3a O5b 2_555 . . 127.9(3) yes Ag3b O3a O5a 2_555 . . 69.4(2) yes Fe1 O3a As1a . . . 125.6(4) yes Fe1 O3a O1a . . . 117.6(4) yes Fe1 O3a O2a . . . 146.3(4) yes Fe1 O3a O2b . . . 48.9(2) yes Fe1 O3a O4a . . . 90.4(3) yes As1a O3a O2a . . 2_645 86.2(3) yes As1a O3a O2b . . . 156.4(5) yes As1a O3a O5b . . . 98.6(4) yes As1a O3a O5a . . . 133.4(4) yes O1a O3a O2a . . . 60.7(3) yes O1a O3a O2a . . 2_645 74.0(3) yes O1a O3a O2b . . . 164.7(4) yes O1a O3a O4a . . . 60.1(3) yes O1a O3a O5b . . . 115.8(3) yes O1a O3a O5a . . . 103.1(3) yes O2a O3a O2a . . 2_645 118.0(3) yes O2a O3a O2b . . . 134.1(4) yes O2a O3a O4a . . . 58.7(3) yes O2a O3a O5b . . . 104.0(3) yes O2a O3a O5a . . . 162.5(4) yes O2a O3a O2a 2_645 . . 118.0(3) yes O2a O3a O2b 2_645 . . 92.8(3) yes O2a O3a O4a 2_645 . . 62.9(3) yes O2a O3a O5b 2_645 . . 59.8(3) yes O2a O3a O5a 2_645 . . 58.2(3) yes O2b O3a O4a . . . 121.0(4) yes O2b O3a O5b . . . 61.2(3) yes O2b O3a O5a . . . 62.6(3) yes O4a O3a O5b . . . 60.1(3) yes O4a O3a O5a . . . 121.0(4) yes O5b O3a O5a . . . 88.6(3) yes Ag2a O3b Fe1 2_555 . 2_555 95.8(3) yes Ag2a O3b As1b 2_555 . . 104.4(3) yes Ag2a O3b O1b 2_555 . . 112.7(3) yes Ag2a O3b O2a 2_555 . 1_455 84.1(2) yes Ag2a O3b O2b 2_555 . . 116.6(3) yes Ag2a O3b O2b 2_555 . 2_555 105.6(3) yes Ag2a O3b O4b 2_555 . . 65.4(2) yes Ag2a O3b O4b 2_555 . 2_555 149.2(3) yes Ag2a O3b O5b 2_555 . 2_555 53.0(2) yes Ag2a O3b O5a 2_555 . 2_555 137.7(3) yes Fe1 O3b As1b 2_555 . . 140.0(5) yes Fe1 O3b O1b 2_555 . . 108.3(3) yes Fe1 O3b O2b 2_555 . . 147.6(4) yes Fe1 O3b O4b 2_555 . . 145.8(4) yes Fe1 O3b O4b 2_555 . 2_555 84.5(3) yes Fe1 O3b O5b 2_555 . 2_555 45.1(2) yes As1b O3b O2a . . 1_455 105.5(4) yes As1b O3b O2b . . 2_555 148.5(4) yes As1b O3b O4b . . 2_555 94.4(3) yes As1b O3b O5b . . 2_555 151.5(4) yes As1b O3b O5a . . 2_555 102.1(3) yes O1b O3b O2a . . 1_455 75.9(3) yes O1b O3b O2b . . . 60.6(3) yes O1b O3b O2b . . 2_555 135.5(3) yes O1b O3b O4b . . . 59.7(3) yes O1b O3b O4b . . 2_555 96.2(3) yes O1b O3b O5b . . 2_555 133.2(4) yes O1b O3b O5a . . 2_555 76.4(3) yes O2a O3b O2b 1_455 . . 136.1(4) yes O2a O3b O2b 1_455 . 2_555 86.7(3) yes O2a O3b O4b 1_455 . . 105.1(3) yes O2a O3b O4b 1_455 . 2_555 114.4(3) yes O2a O3b O5b 1_455 . 2_555 59.5(3) yes O2a O3b O5a 1_455 . 2_555 57.2(3) yes O2b O3b O2b . . 2_555 119.7(3) yes O2b O3b O4b . . . 58.7(3) yes O2b O3b O4b . . 2_555 67.9(3) yes O2b O3b O5b . . 2_555 163.4(4) yes O2b O3b O5a . . 2_555 103.9(3) yes O2b O3b O2b 2_555 . . 119.7(3) yes O2b O3b O4b 2_555 . . 163.8(4) yes O2b O3b O4b 2_555 . 2_555 54.4(2) yes O2b O3b O5b 2_555 . 2_555 59.3(3) yes O2b O3b O5a 2_555 . 2_555 59.9(3) yes O4b O3b O4b . . 2_555 126.6(3) yes O4b O3b O5b . . 2_555 116.9(3) yes O4b O3b O5a . . 2_555 136.0(4) yes O4b O3b O4b 2_555 . . 126.6(3) yes O4b O3b O5b 2_555 . 2_555 113.7(3) yes O4b O3b O5a 2_555 . 2_555 57.6(2) yes O5b O3b O5a 2_555 . 2_555 89.7(3) yes Ag3b O4a As1a 1_655 . . 134.7(4) yes Ag3b O4a As2a 1_655 . . 105.7(3) yes Ag3b O4a O1a 1_655 . . 102.3(3) yes Ag3b O4a O1b 1_655 . 1_655 49.9(2) yes Ag3b O4a O2a 1_655 . . 127.3(3) yes Ag3b O4a O2a 1_655 . 2_645 100.4(3) yes Ag3b O4a O3a 1_655 . . 156.8(4) yes Ag3b O4a O5b 1_655 . . 121.9(3) yes Ag3b O4a O6a 1_655 . . 118.4(3) yes Ag3b O4a O7a 1_655 . . 67.1(2) yes As1a O4a As2a . . . 119.4(4) yes As1a O4a O1b . . 1_655 97.9(3) yes As1a O4a O2a . . 2_645 83.1(3) yes As1a O4a O5b . . . 99.2(3) yes As1a O4a O6a . . . 98.2(4) yes As1a O4a O7a . . . 158.3(4) yes As2a O4a O1a . . . 150.4(4) yes As2a O4a O1b . . 1_655 122.8(4) yes As2a O4a O2a . . . 106.4(4) yes As2a O4a O2a . . 2_645 91.9(3) yes As2a O4a O3a . . . 89.2(3) yes O1a O4a O1b . . 1_655 83.1(3) yes O1a O4a O2a . . . 62.2(3) yes O1a O4a O2a . . 2_645 73.5(3) yes O1a O4a O3a . . . 61.2(3) yes O1a O4a O5b . . . 119.0(3) yes O1a O4a O6a . . . 132.7(4) yes O1a O4a O7a . . . 161.6(4) yes O1b O4a O2a 1_655 . . 77.7(3) yes O1b O4a O2a 1_655 . 2_645 137.1(4) yes O1b O4a O3a 1_655 . . 134.8(4) yes O1b O4a O5b 1_655 . . 157.5(4) yes O1b O4a O6a 1_655 . . 104.4(3) yes O1b O4a O7a 1_655 . . 99.3(3) yes O2a O4a O2a . . 2_645 119.0(3) yes O2a O4a O3a . . . 61.9(3) yes O2a O4a O5b . . . 108.2(3) yes O2a O4a O6a . . . 73.8(3) yes O2a O4a O7a . . . 136.2(4) yes O2a O4a O2a 2_645 . . 119.0(3) yes O2a O4a O3a 2_645 . . 60.8(3) yes O2a O4a O5b 2_645 . . 59.9(3) yes O2a O4a O6a 2_645 . . 117.9(3) yes O2a O4a O7a 2_645 . . 93.1(3) yes O3a O4a O5b . . . 62.6(3) yes O3a O4a O6a . . . 83.9(3) yes O3a O4a O7a . . . 123.5(4) yes O5b O4a O6a . . . 58.7(3) yes O5b O4a O7a . . . 61.1(3) yes O6a O4a O7a . . . 64.7(3) yes Ag2a O4b Ag3a 2_555 . 1_455 85.57(19) yes Ag2a O4b As1b 2_555 . . 95.0(3) yes Ag2a O4b As2b 2_555 . . 81.8(3) yes Ag2a O4b O1b 2_555 . . 108.9(3) yes Ag2a O4b O2b 2_555 . . 113.3(3) yes Ag2a O4b O3b 2_555 . . 58.5(2) yes Ag2a O4b O3b 2_555 . 2_545 171.8(3) yes Ag2a O4b O5a 2_555 . . 113.4(3) yes Ag2a O4b O6b 2_555 . . 55.1(2) yes Ag2a O4b O7b 2_555 . . 83.5(3) yes Ag3a O4b As1b 1_455 . . 147.3(4) yes Ag3a O4b As2b 1_455 . . 94.5(3) yes Ag3a O4b O1b 1_455 . . 114.5(3) yes Ag3a O4b O2b 1_455 . . 161.1(4) yes Ag3a O4b O3b 1_455 . . 135.2(3) yes Ag3a O4b O3b 1_455 . 2_545 99.2(3) yes Ag3a O4b O5a 1_455 . . 109.1(3) yes Ag3a O4b O6b 1_455 . . 110.7(3) yes Ag3a O4b O7b 1_455 . . 54.6(2) yes As1b O4b As2b . . . 118.0(4) yes As1b O4b O3b . . 2_545 84.5(3) yes As1b O4b O5a . . . 100.6(3) yes As1b O4b O6b . . . 95.9(4) yes As1b O4b O7b . . . 158.0(4) yes As2b O4b O1b . . . 149.4(4) yes As2b O4b O2b . . . 87.0(3) yes As2b O4b O3b . . . 104.8(4) yes As2b O4b O3b . . 2_545 91.2(3) yes O1b O4b O2b . . . 62.4(3) yes O1b O4b O3b . . . 61.8(3) yes O1b O4b O3b . . 2_545 75.2(3) yes O1b O4b O5a . . . 120.2(3) yes O1b O4b O6b . . . 130.2(4) yes O1b O4b O7b . . . 163.8(4) yes O2b O4b O3b . . . 61.8(3) yes O2b O4b O3b . . 2_545 61.8(3) yes O2b O4b O5a . . . 63.0(3) yes O2b O4b O6b . . . 80.8(3) yes O2b O4b O7b . . . 123.3(4) yes O3b O4b O3b . . 2_545 120.0(3) yes O3b O4b O5a . . . 109.5(3) yes O3b O4b O6b . . . 71.9(3) yes O3b O4b O7b . . . 134.2(4) yes O3b O4b O3b 2_545 . . 120.0(3) yes O3b O4b O5a 2_545 . . 58.8(3) yes O3b O4b O6b 2_545 . . 116.8(3) yes O3b O4b O7b 2_545 . . 93.9(3) yes O5a O4b O6b . . . 59.1(3) yes O5a O4b O7b . . . 60.7(3) yes O6b O4b O7b . . . 65.3(3) yes Ag2a O5b Ag3a . . 2_655 132.3(3) yes Ag2a O5b Ag4b . . 4_554 66.8(2) yes Ag2a O5b Fe1 . . . 105.1(3) yes Ag2a O5b As2a . . . 110.7(3) yes Ag2a O5b O2a . . 2_645 91.2(3) yes Ag2a O5b O2b . . . 117.0(3) yes Ag2a O5b O3a . . . 148.6(3) yes Ag2a O5b O3b . . 2_545 63.1(2) yes Ag2a O5b O4a . . . 122.0(3) yes Ag2a O5b O6a . . . 127.0(3) yes Ag2a O5b O7a . . . 76.6(3) yes Ag3a O5b Ag4b 2_655 . 4_554 69.1(2) yes Ag3a O5b Fe1 2_655 . . 95.7(3) yes Ag3a O5b As2a 2_655 . . 89.3(3) yes Ag3a O5b O2a 2_655 . 2_645 130.9(3) yes Ag3a O5b O2b 2_655 . . 53.8(2) yes Ag3a O5b O3a 2_655 . . 71.9(2) yes Ag3a O5b O3b 2_655 . 2_545 112.6(3) yes Ag3a O5b O4a 2_655 . . 100.0(3) yes Ag3a O5b O6a 2_655 . . 55.1(2) yes Ag3a O5b O7a 2_655 . . 116.8(3) yes Ag4b O5b Fe1 4_554 . . 94.7(3) yes Ag4b O5b As2a 4_554 . . 136.6(4) yes Ag4b O5b O2a 4_554 . 2_645 127.6(3) yes Ag4b O5b O2b 4_554 . . 63.6(3) yes Ag4b O5b O3a 4_554 . . 119.6(3) yes Ag4b O5b O3b 4_554 . 2_545 65.3(3) yes Ag4b O5b O4a 4_554 . . 168.6(4) yes Ag4b O5b O6a 4_554 . . 109.5(3) yes Ag4b O5b O7a 4_554 . . 125.1(3) yes Fe1 O5b As2a . . . 125.6(4) yes Fe1 O5b O2b . . . 46.3(2) yes Fe1 O5b O3a . . . 46.2(2) yes Fe1 O5b O4a . . . 89.8(3) yes Fe1 O5b O6a . . . 127.6(4) yes Fe1 O5b O7a . . . 134.7(4) yes As2a O5b O2a . . 2_645 95.2(3) yes As2a O5b O2b . . . 131.8(4) yes As2a O5b O3a . . . 85.6(3) yes As2a O5b O3b . . 2_545 155.4(4) yes O2a O5b O2b 2_645 . . 89.9(3) yes O2a O5b O3a 2_645 . . 59.8(3) yes O2a O5b O3b 2_645 . 2_545 62.3(3) yes O2a O5b O4a 2_645 . . 61.9(3) yes O2a O5b O6a 2_645 . . 121.1(3) yes O2a O5b O7a 2_645 . . 91.2(3) yes O2b O5b O3a . . . 56.3(3) yes O2b O5b O3b . . 2_545 62.3(3) yes O2b O5b O4a . . . 113.4(3) yes O2b O5b O6a . . . 104.8(3) yes O2b O5b O7a . . . 166.3(4) yes O3a O5b O3b . . 2_545 90.7(3) yes O3a O5b O4a . . . 57.3(3) yes O3a O5b O6a . . . 81.8(3) yes O3a O5b O7a . . . 113.0(3) yes O3b O5b O4a 2_545 . . 124.0(3) yes O3b O5b O6a 2_545 . . 167.1(4) yes O3b O5b O7a 2_545 . . 129.6(4) yes O4a O5b O6a . . . 59.9(3) yes O4a O5b O7a . . . 55.8(3) yes O6a O5b O7a . . . 63.2(3) yes Ag2b O5a Ag4a . . . 72.44(19) yes Ag2b O5a Fe1 . . . 114.3(3) yes Ag2b O5a As2b . . . 103.6(3) yes Ag2b O5a O2a . . 2_645 74.3(3) yes Ag2b O5a O2b . . . 152.9(3) yes Ag2b O5a O3a . . . 128.4(3) yes Ag2b O5a O3b . . 2_545 91.4(3) yes Ag2b O5a O4b . . . 114.4(3) yes Ag2b O5a O6b . . . 121.8(3) yes Ag2b O5a O7b . . . 68.3(2) yes Ag4a O5a Fe1 . . . 95.1(3) yes Ag4a O5a As2b . . . 136.9(4) yes Ag4a O5a O2a . . 2_645 62.0(2) yes Ag4a O5a O2b . . . 120.8(3) yes Ag4a O5a O3a . . . 64.6(2) yes Ag4a O5a O3b . . 2_545 125.0(3) yes Ag4a O5a O4b . . . 169.9(3) yes Ag4a O5a O6b . . . 110.7(3) yes Ag4a O5a O7b . . . 124.4(3) yes Fe1 O5a As2b . . . 123.4(4) yes Fe1 O5a O2a . . 2_645 45.7(2) yes Fe1 O5a O2b . . . 45.5(2) yes Fe1 O5a O3a . . . 46.9(2) yes Fe1 O5a O4b . . . 88.8(3) yes Fe1 O5a O6b . . . 122.8(4) yes Fe1 O5a O7b . . . 136.4(4) yes As2b O5a O2a . . 2_645 160.2(4) yes As2b O5a O2b . . . 82.7(3) yes As2b O5a O3a . . . 127.1(4) yes As2b O5a O3b . . 2_545 97.6(4) yes O2a O5a O2b 2_645 . . 90.8(3) yes O2a O5a O3a 2_645 . . 61.2(3) yes O2a O5a O3b 2_645 . 2_545 63.0(3) yes O2a O5a O4b 2_645 . . 126.0(3) yes O2a O5a O6b 2_645 . . 161.0(4) yes O2a O5a O7b 2_645 . . 135.3(4) yes O2b O5a O3a . . . 56.3(3) yes O2b O5a O3b . . 2_545 61.5(3) yes O2b O5a O4b . . . 56.7(3) yes O2b O5a O6b . . . 78.0(3) yes O2b O5a O7b . . . 112.0(3) yes O3a O5a O3b . . 2_545 90.7(3) yes O3a O5a O4b . . . 112.5(3) yes O3a O5a O6b . . . 99.8(3) yes O3a O5a O7b . . . 162.6(4) yes O3b O5a O4b 2_545 . . 63.6(3) yes O3b O5a O6b 2_545 . . 122.0(4) yes O3b O5a O7b 2_545 . . 94.0(3) yes O4b O5a O6b . . . 59.7(3) yes O4b O5a O7b . . . 55.7(3) yes O6b O5a O7b . . . 63.7(3) yes Ag1a O6a Ag2b 2_655 . 2_655 85.7(2) yes Ag1a O6a Ag3a 2_655 . 2_655 110.4(3) yes Ag1a O6a Ag4a 2_655 . 2_655 83.8(2) yes Ag1a O6a As2a 2_655 . . 124.5(4) yes Ag1a O6a O4a 2_655 . . 141.5(4) yes Ag1a O6a O5b 2_655 . . 128.6(4) yes Ag1a O6a O7a 2_655 . . 95.9(3) yes Ag1a O6a O10a 2_655 . 4_555 49.2(2) yes Ag2b O6a Ag3a 2_655 . 2_655 152.9(3) yes Ag2b O6a Ag4a 2_655 . 2_655 73.0(2) yes Ag2b O6a As2a 2_655 . . 90.3(3) yes Ag2b O6a O4a 2_655 . . 65.8(2) yes Ag2b O6a O5b 2_655 . . 124.8(3) yes Ag2b O6a O7a 2_655 . . 78.7(3) yes Ag2b O6a O10a 2_655 . 4_555 48.58(19) yes Ag3a O6a Ag4a 2_655 . 2_655 86.9(3) yes Ag3a O6a As2a 2_655 . . 97.3(3) yes Ag3a O6a O4a 2_655 . . 106.3(3) yes Ag3a O6a O5b 2_655 . . 62.1(2) yes Ag3a O6a O7a 2_655 . . 119.2(3) yes Ag3a O6a O10a 2_655 . 4_555 127.1(3) yes Ag4a O6a As2a 2_655 . . 146.6(5) yes Ag4a O6a O4a 2_655 . . 110.0(3) yes Ag4a O6a O5b 2_655 . . 140.1(4) yes Ag4a O6a O7a 2_655 . . 151.7(4) yes Ag4a O6a O10a 2_655 . 4_555 48.2(2) yes As2a O6a O10a . . 4_555 135.3(4) yes O4a O6a O5b . . . 61.4(3) yes O4a O6a O7a . . . 54.9(3) yes O4a O6a O10a . . 4_555 113.8(3) yes O5b O6a O7a . . . 58.8(3) yes O5b O6a O10a . . 4_555 170.5(4) yes O7a O6a O10a . . 4_555 111.8(3) yes Ag1b O6b Ag2a 3_655 . 2_555 88.1(2) yes Ag1b O6b Ag3b 3_655 . 2_555 116.8(3) yes Ag1b O6b Ag4b 3_655 . 3_566 78.4(3) yes Ag1b O6b As2b 3_655 . . 124.7(4) yes Ag1b O6b O4b 3_655 . . 141.4(4) yes Ag1b O6b O5a 3_655 . . 128.0(4) yes Ag1b O6b O7b 3_655 . . 96.1(3) yes Ag2a O6b Ag3b 2_555 . 2_555 131.8(3) yes Ag2a O6b Ag4b 2_555 . 3_566 69.8(3) yes Ag2a O6b As2b 2_555 . . 94.2(3) yes Ag2a O6b O4b 2_555 . . 66.5(2) yes Ag2a O6b O5a 2_555 . . 126.7(3) yes Ag2a O6b O7b 2_555 . . 83.9(3) yes Ag3b O6b Ag4b 2_555 . 3_566 75.6(3) yes Ag3b O6b As2b 2_555 . . 102.0(4) yes Ag3b O6b O4b 2_555 . . 101.7(3) yes Ag3b O6b O5a 2_555 . . 70.9(3) yes Ag3b O6b O7b 2_555 . . 128.8(3) yes Ag4b O6b As2b 3_566 . . 152.5(5) yes Ag4b O6b O4b 3_566 . . 115.7(4) yes Ag4b O6b O5a 3_566 . . 144.3(4) yes Ag4b O6b O7b 3_566 . . 153.2(4) yes O4b O6b O5a . . . 61.2(3) yes O4b O6b O7b . . . 54.5(3) yes O5a O6b O7b . . . 57.9(3) yes Ag3b O7a Fe2a 1_655 . 2_655 116.0(3) yes Ag3b O7a As2a 1_655 . . 99.6(3) yes Ag3b O7a O4a 1_655 . . 58.2(2) yes Ag3b O7a O5b 1_655 . . 115.9(3) yes Ag3b O7a O6a 1_655 . . 108.1(3) yes Ag3b O7a O8a 1_655 . 4_545 73.1(2) yes Ag3b O7a O9a 1_655 . 2_655 149.7(3) yes Ag3b O7a O13b 1_655 . 2_655 92.9(3) yes Ag3b O7a O14a 1_655 . 2_655 123.1(3) yes Fe2a O7a As2a 2_655 . . 129.4(4) yes Fe2a O7a O4a 2_655 . . 152.6(4) yes Fe2a O7a O5b 2_655 . . 128.0(4) yes Fe2a O7a O6a 2_655 . . 101.9(3) yes Fe2a O7a O8a 2_655 . 4_545 45.5(2) yes Fe2a O7a O13b 2_655 . 2_655 47.0(2) yes Fe2a O7a O14a 2_655 . 2_655 46.6(2) yes As2a O7a O8a . . 4_545 158.0(4) yes As2a O7a O9a . . 2_655 88.0(3) yes As2a O7a O13b . . 2_655 99.8(4) yes As2a O7a O14a . . 2_655 134.4(4) yes O4a O7a O5b . . . 63.2(3) yes O4a O7a O6a . . . 60.4(3) yes O4a O7a O8a . . 4_545 129.1(4) yes O4a O7a O9a . . 2_655 126.5(4) yes O4a O7a O13b . . 2_655 105.7(3) yes O4a O7a O14a . . 2_655 160.7(4) yes O5b O7a O6a . . . 58.0(3) yes O5b O7a O8a . . 4_545 165.8(4) yes O5b O7a O9a . . 2_655 87.1(3) yes O5b O7a O13b . . 2_655 126.7(4) yes O5b O7a O14a . . 2_655 104.4(3) yes O6a O7a O8a . . 4_545 131.7(3) yes O6a O7a O9a . . 2_655 66.1(3) yes O6a O7a O13b . . 2_655 71.1(3) yes O6a O7a O14a . . 2_655 127.4(4) yes O8a O7a O9a 4_545 . 2_655 88.9(3) yes O8a O7a O13b 4_545 . 2_655 60.7(3) yes O8a O7a O14a 4_545 . 2_655 61.8(3) yes O9a O7a O13b 2_655 . 2_655 56.8(2) yes O9a O7a O14a 2_655 . 2_655 63.7(3) yes O13b O7a O14a 2_655 . 2_655 93.6(3) yes Ag2b O7b Ag3a . . 1_455 123.6(3) yes Ag2b O7b Fe2b . . 1_455 97.7(3) yes Ag2b O7b As2b . . . 88.7(3) yes Ag2b O7b O4b . . . 108.4(3) yes Ag2b O7b O5a . . . 53.3(2) yes Ag2b O7b O6b . . . 104.8(3) yes Ag2b O7b O8b . . 1_455 113.3(3) yes Ag2b O7b O9b . . 3_655 83.7(2) yes Ag2b O7b O13a . . 1_465 138.8(3) yes Ag2b O7b O14b . . . 54.7(2) yes Ag3a O7b Fe2b 1_455 . 1_455 107.8(3) yes Ag3a O7b As2b 1_455 . . 108.6(4) yes Ag3a O7b O4b 1_455 . . 66.5(3) yes Ag3a O7b O5a 1_455 . . 121.9(3) yes Ag3a O7b O6b 1_455 . . 116.4(3) yes Ag3a O7b O8b 1_455 . 1_455 62.8(2) yes Ag3a O7b O9b 1_455 . 3_655 146.5(3) yes Ag3a O7b O13a 1_455 . 1_465 91.5(3) yes Ag3a O7b O14b 1_455 . . 112.8(3) yes Fe2b O7b As2b 1_455 . . 130.8(4) yes Fe2b O7b O4b 1_455 . . 151.8(4) yes Fe2b O7b O5a 1_455 . . 130.2(4) yes Fe2b O7b O6b 1_455 . . 103.3(3) yes Fe2b O7b O8b 1_455 . 1_455 46.3(2) yes Fe2b O7b O13a 1_455 . 1_465 46.8(2) yes Fe2b O7b O14b 1_455 . . 47.6(2) yes As2b O7b O8b . . 1_455 157.8(4) yes As2b O7b O9b . . 3_655 89.2(3) yes As2b O7b O13a . . 1_465 100.6(4) yes As2b O7b O14b . . . 135.3(4) yes O4b O7b O5a . . . 63.6(3) yes O4b O7b O6b . . . 60.3(3) yes O4b O7b O8b . . 1_455 126.4(4) yes O4b O7b O9b . . 3_655 127.4(4) yes O4b O7b O13a . . 1_465 105.0(3) yes O4b O7b O14b . . . 160.6(4) yes O5a O7b O6b . . . 58.4(3) yes O5a O7b O8b . . 1_455 166.6(4) yes O5a O7b O9b . . 3_655 89.2(3) yes O5a O7b O13a . . 1_465 128.4(4) yes O5a O7b O14b . . . 104.9(3) yes O6b O7b O8b . . 1_455 132.8(4) yes O6b O7b O9b . . 3_655 67.1(3) yes O6b O7b O13a . . 1_465 72.1(3) yes O6b O7b O14b . . . 129.0(4) yes O8b O7b O9b 1_455 . 3_655 89.9(3) yes O8b O7b O13a 1_455 . 1_465 60.9(3) yes O8b O7b O14b 1_455 . . 62.8(3) yes O9b O7b O13a 3_655 . 1_465 56.8(3) yes O9b O7b O14b 3_655 . . 64.7(3) yes O13a O7b O14b 1_465 . . 94.3(3) yes Ag1a O8b Ag3a . . . 96.1(2) yes Ag1a O8b Fe2b . . . 130.0(3) yes Ag1a O8b As3a . . . 84.4(3) yes Ag1a O8b O7b . . 1_655 134.0(3) yes Ag1a O8b O9a . . . 50.0(2) yes Ag1a O8b O10b . . . 108.6(3) yes Ag1a O8b O11a . . 3_655 92.2(3) yes Ag1a O8b O12a . . 3_655 103.7(3) yes Ag1a O8b O13a . . 1_565 87.9(3) yes Ag1a O8b O14b . . 1_655 162.4(3) yes Ag3a O8b Fe2b . . . 97.7(3) yes Ag3a O8b As3a . . . 118.7(4) yes Ag3a O8b O7b . . 1_655 53.1(2) yes Ag3a O8b O9a . . . 109.1(3) yes Ag3a O8b O10b . . . 95.4(3) yes Ag3a O8b O11a . . 3_655 154.6(3) yes Ag3a O8b O12a . . 3_655 140.2(3) yes Ag3a O8b O13a . . 1_565 85.2(3) yes Ag3a O8b O14b . . 1_655 101.2(3) yes Fe2b O8b As3a . . . 127.9(4) yes Fe2b O8b O7b . . 1_655 45.6(2) yes Fe2b O8b O9a . . . 153.2(4) yes Fe2b O8b O10b . . . 117.6(3) yes Fe2b O8b O11a . . 3_655 95.2(3) yes Fe2b O8b O13a . . 1_565 46.0(2) yes As3a O8b O7b . . 1_655 138.1(4) yes As3a O8b O12a . . 3_655 97.6(3) yes As3a O8b O13a . . 1_565 155.6(4) yes As3a O8b O14b . . 1_655 89.7(3) yes O7b O8b O9a 1_655 . . 159.3(4) yes O7b O8b O10b 1_655 . . 107.7(3) yes O7b O8b O11a 1_655 . 3_655 130.8(4) yes O7b O8b O12a 1_655 . 3_655 89.3(3) yes O7b O8b O13a 1_655 . 1_565 59.6(3) yes O7b O8b O14b 1_655 . 1_655 58.1(3) yes O9a O8b O10b . . . 59.7(3) yes O9a O8b O11a . . 3_655 59.6(3) yes O9a O8b O12a . . 3_655 110.1(3) yes O9a O8b O13a . . 1_565 135.8(3) yes O9a O8b O14b . . 1_655 124.8(3) yes O10b O8b O11a . . 3_655 59.2(3) yes O10b O8b O12a . . 3_655 110.0(3) yes O10b O8b O13a . . 1_565 163.3(4) yes O10b O8b O14b . . 1_655 72.8(3) yes O11a O8b O12a 3_655 . 3_655 59.2(3) yes O11a O8b O13a 3_655 . 1_565 119.1(3) yes O11a O8b O14b 3_655 . 1_655 73.2(3) yes O12a O8b O13a 3_655 . 1_565 61.8(3) yes O12a O8b O14b 3_655 . 1_655 60.6(3) yes O13a O8b O14b 1_565 . 1_655 90.7(3) yes Ag1b O8a Fe2a . . 3_645 131.8(3) yes Ag1b O8a As3b . . . 86.2(3) yes Ag1b O8a O7a . . 4_544 130.0(3) yes Ag1b O8a O9b . . . 51.2(2) yes Ag1b O8a O10a . . . 109.8(3) yes Ag1b O8a O11b . . . 96.1(3) yes Ag1b O8a O12b . . . 107.6(3) yes Ag1b O8a O13b . . 3_645 87.8(3) yes Ag1b O8a O14a . . 3_645 166.9(3) yes Fe2a O8a As3b 3_645 . . 127.7(4) yes Fe2a O8a O7a 3_645 . 4_544 45.4(2) yes Fe2a O8a O9b 3_645 . . 154.4(4) yes Fe2a O8a O10a 3_645 . . 116.3(3) yes Fe2a O8a O11b 3_645 . . 95.7(3) yes Fe2a O8a O13b 3_645 . 3_645 46.2(2) yes Fe2a O8a O14a 3_645 . 3_645 45.2(2) yes As3b O8a O7a . . 4_544 139.1(4) yes As3b O8a O12b . . . 96.2(3) yes As3b O8a O13b . . 3_645 154.6(4) yes As3b O8a O14a . . 3_645 89.1(3) yes O7a O8a O9b 4_544 . . 158.6(4) yes O7a O8a O10a 4_544 . . 107.4(3) yes O7a O8a O11b 4_544 . . 131.8(4) yes O7a O8a O12b 4_544 . . 90.2(3) yes O7a O8a O13b 4_544 . 3_645 59.4(3) yes O7a O8a O14a 4_544 . 3_645 59.3(3) yes O9b O8a O10a . . . 60.6(3) yes O9b O8a O11b . . . 60.1(3) yes O9b O8a O12b . . . 110.1(3) yes O9b O8a O13b . . 3_645 135.8(3) yes O9b O8a O14a . . 3_645 124.5(3) yes O10a O8a O11b . . . 59.2(3) yes O10a O8a O12b . . . 108.8(3) yes O10a O8a O13b . . 3_645 162.3(4) yes O10a O8a O14a . . 3_645 71.2(3) yes O11b O8a O12b . . . 58.6(3) yes O11b O8a O13b . . 3_645 118.9(3) yes O11b O8a O14a . . 3_645 72.9(3) yes O12b O8a O13b . . 3_645 62.3(3) yes O12b O8a O14a . . 3_645 60.8(3) yes O13b O8a O14a 3_645 . 3_645 91.3(3) yes Ag1a O9a Fe2a . . . 110.2(3) yes Ag1a O9a As3a . . . 102.7(3) yes Ag1a O9a O7a . . 2_645 99.8(3) yes Ag1a O9a O8b . . . 68.6(2) yes Ag1a O9a O10b . . . 128.6(3) yes Ag1a O9a O11a . . 3_655 105.3(3) yes Ag1a O9a O12b . . 3_645 109.2(3) yes Ag1a O9a O13b . . . 62.2(2) yes Fe2a O9a As3a . . . 141.3(4) yes Fe2a O9a O8b . . . 152.8(4) yes Fe2a O9a O10b . . . 108.1(3) yes Fe2a O9a O11a . . 3_655 139.7(4) yes Fe2a O9a O12b . . 3_645 47.1(2) yes Fe2a O9a O13b . . . 48.2(2) yes As3a O9a O7a . . 2_645 112.8(4) yes As3a O9a O12b . . 3_645 136.7(4) yes As3a O9a O13b . . . 158.3(4) yes O7a O9a O8b 2_645 . . 109.9(3) yes O7a O9a O10b 2_645 . . 86.0(3) yes O7a O9a O11a 2_645 . 3_655 145.7(4) yes O7a O9a O12b 2_645 . 3_645 90.0(3) yes O7a O9a O13b 2_645 . . 59.0(3) yes O8b O9a O10b . . . 61.6(3) yes O8b O9a O11a . . 3_655 60.1(3) yes O8b O9a O12b . . 3_645 160.1(4) yes O8b O9a O13b . . . 125.0(4) yes O10b O9a O11a . . 3_655 60.0(3) yes O10b O9a O12b . . 3_645 121.9(4) yes O10b O9a O13b . . . 144.9(4) yes O11a O9a O12b 3_655 . 3_645 103.2(3) yes O11a O9a O13b 3_655 . . 155.0(4) yes O12b O9a O13b 3_645 . . 65.1(3) yes Ag1b O9b Fe2b . . 3_755 112.3(3) yes Ag1b O9b As3b . . . 100.6(3) yes Ag1b O9b O7b . . 3_655 98.9(3) yes Ag1b O9b O8a . . . 65.8(2) yes Ag1b O9b O10a . . . 124.3(3) yes Ag1b O9b O11b . . . 106.9(3) yes Ag1b O9b O12a . . 1_655 114.0(3) yes Ag1b O9b O13a . . 3_745 64.7(2) yes Fe2b O9b As3b 3_755 . . 140.2(4) yes Fe2b O9b O8a 3_755 . . 152.7(4) yes Fe2b O9b O10a 3_755 . . 107.1(3) yes Fe2b O9b O11b 3_755 . . 138.0(4) yes Fe2b O9b O12a 3_755 . 1_655 46.6(2) yes Fe2b O9b O13a 3_755 . 3_745 48.0(2) yes As3b O9b O7b . . 3_655 112.1(4) yes As3b O9b O12a . . 1_655 135.9(4) yes As3b O9b O13a . . 3_745 158.9(4) yes O7b O9b O8a 3_655 . . 109.9(3) yes O7b O9b O10a 3_655 . . 84.3(3) yes O7b O9b O11b 3_655 . . 143.1(3) yes O7b O9b O12a 3_655 . 1_655 89.4(3) yes O7b O9b O13a 3_655 . 3_745 59.0(3) yes O8a O9b O10a . . . 61.1(3) yes O8a O9b O11b . . . 60.5(3) yes O8a O9b O12a . . 1_655 160.7(4) yes O8a O9b O13a . . 3_745 125.9(4) yes O10a O9b O11b . . . 59.5(3) yes O10a O9b O12a . . 1_655 121.7(4) yes O10a O9b O13a . . 3_745 143.2(4) yes O11b O9b O12a . . 1_655 103.2(3) yes O11b O9b O13a . . 3_745 157.2(4) yes O12a O9b O13a 1_655 . 3_745 65.0(3) yes Ag1b O10b Ag2a 3_745 . 2_645 103.5(3) yes Ag1b O10b Ag4b 3_745 . 3_656 91.4(3) yes Ag1b O10b As3a 3_745 . . 118.2(4) yes Ag1b O10b O8b 3_745 . . 122.7(3) yes Ag1b O10b O9a 3_745 . . 132.3(3) yes Ag1b O10b O11a 3_745 . 3_655 80.8(3) yes Ag2a O10b Ag4b 2_645 . 3_656 82.4(3) yes Ag2a O10b As3a 2_645 . . 135.2(4) yes Ag2a O10b O8b 2_645 . . 130.1(3) yes Ag2a O10b O9a 2_645 . . 104.6(3) yes Ag2a O10b O11a 2_645 . 3_655 156.6(4) yes Ag4b O10b As3a 3_656 . . 110.7(4) yes Ag4b O10b O8b 3_656 . . 78.7(3) yes Ag4b O10b O9a 3_656 . . 129.9(4) yes Ag4b O10b O11a 3_656 . 3_655 120.7(4) yes O8b O10b O9a . . . 58.7(3) yes O8b O10b O11a . . 3_655 58.9(3) yes O9a O10b O11a . . 3_655 59.2(3) yes Ag1a O10a Ag2b 3_655 . 3_655 104.5(3) yes Ag1a O10a Ag4a 3_655 . 3_655 95.4(3) yes Ag1a O10a As3b 3_655 . . 115.6(4) yes Ag1a O10a O6a 3_655 . 4_554 57.1(2) yes Ag1a O10a O8a 3_655 . . 123.7(3) yes Ag1a O10a O9b 3_655 . . 128.1(3) yes Ag1a O10a O11b 3_655 . . 77.9(3) yes Ag2b O10a Ag4a 3_655 . 3_655 87.6(3) yes Ag2b O10a As3b 3_655 . . 129.7(4) yes Ag2b O10a O6a 3_655 . 4_554 64.9(2) yes Ag2b O10a O8a 3_655 . . 131.6(3) yes Ag2b O10a O9b 3_655 . . 97.5(3) yes Ag2b O10a O11b 3_655 . . 146.6(3) yes Ag4a O10a As3b 3_655 . . 116.0(4) yes Ag4a O10a O6a 3_655 . 4_554 55.6(2) yes Ag4a O10a O8a 3_655 . . 83.2(3) yes Ag4a O10a O9b 3_655 . . 132.4(3) yes Ag4a O10a O11b 3_655 . . 125.6(3) yes As3b O10a O6a . . 4_554 164.8(4) yes O6a O10a O8a 4_554 . . 137.0(3) yes O6a O10a O9b 4_554 . . 161.7(4) yes O6a O10a O11b 4_554 . . 133.5(4) yes O8a O10a O9b . . . 58.3(3) yes O8a O10a O11b . . . 59.4(3) yes O9b O10a O11b . . . 59.4(3) yes As3a O11a As4a 3_655 . . 129.1(4) yes As3a O11a O11b 3_655 . 3_655 86.5(3) yes As3a O11a O12a 3_655 . . 99.4(3) yes As3a O11a O13b 3_655 . . 119.3(4) yes As3a O11a O14b 3_655 . . 159.2(4) yes As4a O11a O8b . . 3_655 94.2(3) yes As4a O11a O9a . . 3_655 124.8(4) yes As4a O11a O10b . . 3_655 150.2(4) yes As4a O11a O11b . . 3_655 138.9(4) yes O8b O11a O9a 3_655 . 3_655 60.2(3) yes O8b O11a O10b 3_655 . 3_655 61.9(3) yes O8b O11a O11b 3_655 . 3_655 122.5(4) yes O8b O11a O12a 3_655 . . 63.4(3) yes O8b O11a O13b 3_655 . . 97.5(3) yes O8b O11a O14b 3_655 . . 124.4(4) yes O9a O11a O10b 3_655 . 3_655 60.8(3) yes O9a O11a O11b 3_655 . 3_655 69.3(3) yes O9a O11a O12a 3_655 . . 114.1(3) yes O9a O11a O13b 3_655 . . 96.1(3) yes O9a O11a O14b 3_655 . . 155.8(4) yes O10b O11a O11b 3_655 . 3_655 70.6(3) yes O10b O11a O12a 3_655 . . 115.7(3) yes O10b O11a O13b 3_655 . . 154.0(4) yes O10b O11a O14b 3_655 . . 143.4(4) yes O11b O11a O12a 3_655 . . 173.6(4) yes O11b O11a O13b 3_655 . . 114.2(3) yes O11b O11a O14b 3_655 . . 113.0(3) yes O12a O11a O13b . . . 60.6(3) yes O12a O11a O14b . . . 61.4(3) yes O13b O11a O14b . . . 60.4(3) yes As3b O11b As4b . . . 128.2(4) yes As3b O11b O11a . . 3_655 87.0(3) yes As3b O11b O12b . . . 98.4(3) yes As3b O11b O13a . . . 117.9(4) yes As3b O11b O14a . . . 158.5(4) yes As4b O11b O8a . . . 94.0(3) yes As4b O11b O9b . . . 124.0(4) yes As4b O11b O10a . . . 149.4(4) yes As4b O11b O11a . . 3_655 139.0(4) yes O8a O11b O9b . . . 59.5(3) yes O8a O11b O10a . . . 61.3(3) yes O8a O11b O11a . . 3_655 122.4(4) yes O8a O11b O12b . . . 62.9(3) yes O8a O11b O13a . . . 96.9(3) yes O8a O11b O14a . . . 123.8(4) yes O9b O11b O10a . . . 61.1(3) yes O9b O11b O11a . . 3_655 70.1(3) yes O9b O11b O12b . . . 113.3(3) yes O9b O11b O13a . . . 95.5(3) yes O9b O11b O14a . . . 155.3(4) yes O10a O11b O11a . . 3_655 71.3(3) yes O10a O11b O12b . . . 114.2(3) yes O10a O11b O13a . . . 153.4(4) yes O10a O11b O14a . . . 143.5(4) yes O11a O11b O12b 3_655 . . 174.3(4) yes O11a O11b O13a 3_655 . . 114.6(3) yes O11a O11b O14a 3_655 . . 113.7(3) yes O12b O11b O13a . . . 61.2(3) yes O12b O11b O14a . . . 61.2(3) yes O13a O11b O14a . . . 60.3(3) yes Ag1b O12a Fe2b 3_645 . 3_655 122.5(3) yes Ag1b O12a As4a 3_645 . . 106.7(3) yes Ag1b O12a O8b 3_645 . 3_655 161.6(4) yes Ag1b O12a O9b 3_645 . 1_455 75.7(3) yes Ag1b O12a O11a 3_645 . . 140.7(3) yes Ag1b O12a O13b 3_645 . . 96.8(3) yes Ag1b O12a O13a 3_645 . 3_645 104.1(3) yes Ag1b O12a O14b 3_645 . . 83.7(3) yes Ag1b O12a O14b 3_645 . 3_555 122.5(3) yes Fe2b O12a As4a 3_655 . . 129.8(4) yes Fe2b O12a O9b 3_655 . 1_455 47.2(2) yes Fe2b O12a O11a 3_655 . . 93.8(3) yes Fe2b O12a O13b 3_655 . . 135.5(4) yes Fe2b O12a O14b 3_655 . . 138.0(4) yes As4a O12a O8b . . 3_655 89.9(3) yes As4a O12a O9b . . 1_455 163.7(4) yes As4a O12a O13a . . 3_645 135.2(4) yes As4a O12a O14b . . 3_555 102.0(4) yes O8b O12a O9b 3_655 . 1_455 90.7(3) yes O8b O12a O11a 3_655 . . 57.5(3) yes O8b O12a O13b 3_655 . . 92.8(3) yes O8b O12a O13a 3_655 . 3_645 57.6(3) yes O8b O12a O14b 3_655 . . 114.7(3) yes O8b O12a O14b 3_655 . 3_555 59.4(3) yes O9b O12a O11a 1_455 . . 135.3(4) yes O9b O12a O13b 1_455 . . 162.9(4) yes O9b O12a O13a 1_455 . 3_645 56.8(3) yes O9b O12a O14b 1_455 . . 133.9(4) yes O9b O12a O14b 1_455 . 3_555 64.6(3) yes O11a O12a O13b . . . 59.0(3) yes O11a O12a O13a . . 3_645 113.4(3) yes O11a O12a O14b . . . 57.5(3) yes O11a O12a O14b . . 3_555 71.9(3) yes O13b O12a O13a . . 3_645 111.9(3) yes O13b O12a O14b . . . 58.6(3) yes O13b O12a O14b . . 3_555 130.9(4) yes O13a O12a O14b 3_645 . . 168.8(4) yes O13a O12a O14b 3_645 . 3_555 87.6(3) yes O14b O12a O14b . . 3_555 94.9(3) yes O14b O12a O14b 3_555 . . 94.9(3) yes Ag1a O12b Fe2a 1_545 . 3_645 117.8(3) yes Ag1a O12b As4b 1_545 . . 109.6(3) yes Ag1a O12b O8a 1_545 . . 156.9(4) yes Ag1a O12b O9a 1_545 . 3_645 71.8(2) yes Ag1a O12b O11b 1_545 . . 144.4(3) yes Ag1a O12b O13b 1_545 . 3_645 99.4(3) yes Ag1a O12b O13a 1_545 . . 99.7(3) yes Ag1a O12b O14a 1_545 . . 86.5(3) yes Ag1a O12b O14a 1_545 . 3_645 120.9(3) yes Fe2a O12b As4b 3_645 . . 131.9(4) yes Fe2a O12b O9a 3_645 . 3_645 46.7(2) yes Fe2a O12b O11b 3_645 . . 94.9(3) yes Fe2a O12b O13a 3_645 . . 135.7(4) yes Fe2a O12b O14a 3_645 . . 140.1(4) yes As4b O12b O8a . . . 91.5(3) yes As4b O12b O9a . . 3_645 164.6(4) yes As4b O12b O13b . . 3_645 135.7(4) yes As4b O12b O14a . . 3_645 103.8(4) yes O8a O12b O9a . . 3_645 90.4(3) yes O8a O12b O11b . . . 58.6(3) yes O8a O12b O13b . . 3_645 57.8(3) yes O8a O12b O13a . . . 93.1(3) yes O8a O12b O14a . . . 116.5(3) yes O8a O12b O14a . . 3_645 59.6(3) yes O9a O12b O11b 3_645 . . 135.7(3) yes O9a O12b O13b 3_645 . 3_645 56.7(3) yes O9a O12b O13a 3_645 . . 162.1(4) yes O9a O12b O14a 3_645 . . 133.9(3) yes O9a O12b O14a 3_645 . 3_645 64.3(3) yes O11b O12b O13b . . 3_645 114.7(3) yes O11b O12b O13a . . . 59.4(3) yes O11b O12b O14a . . . 58.2(3) yes O11b O12b O14a . . 3_645 72.4(3) yes O13b O12b O13a 3_645 . . 111.3(3) yes O13b O12b O14a 3_645 . . 169.4(3) yes O13b O12b O14a 3_645 . 3_645 88.1(3) yes O13a O12b O14a . . . 58.8(3) yes O13a O12b O14a . . 3_645 131.8(3) yes O14a O12b O14a . . 3_645 96.4(3) yes O14a O12b O14a 3_645 . . 96.4(3) yes Ag1a O13b Ag2b . . . 86.7(2) yes Ag1a O13b Fe2a . . . 100.4(3) yes Ag1a O13b As4a . . . 108.4(3) yes Ag1a O13b O7a . . 2_645 97.2(3) yes Ag1a O13b O8a . . 3_645 145.5(3) yes Ag1a O13b O9a . . . 52.9(2) yes Ag1a O13b O11a . . . 72.3(2) yes Ag1a O13b O12a . . . 128.9(3) yes Ag1a O13b O12b . . 3_645 97.3(3) yes Ag1a O13b O14b . . . 110.0(3) yes Ag2b O13b Fe2a . . . 127.5(3) yes Ag2b O13b As4a . . . 90.9(3) yes Ag2b O13b O7a . . 2_645 81.9(2) yes Ag2b O13b O8a . . 3_645 112.5(3) yes Ag2b O13b O9a . . . 119.3(3) yes Ag2b O13b O11a . . . 96.8(3) yes Ag2b O13b O12a . . . 115.4(3) yes Ag2b O13b O12b . . 3_645 170.6(3) yes Ag2b O13b O14b . . . 56.5(2) yes Fe2a O13b As4a . . . 133.2(4) yes Fe2a O13b O7a . . 2_645 45.7(2) yes Fe2a O13b O8a . . 3_645 45.1(2) yes Fe2a O13b O9a . . . 47.6(2) yes Fe2a O13b O11a . . . 135.1(4) yes Fe2a O13b O12a . . . 100.0(3) yes Fe2a O13b O14b . . . 149.6(4) yes As4a O13b O7a . . 2_645 153.0(4) yes As4a O13b O8a . . 3_645 100.0(3) yes As4a O13b O9a . . . 139.6(4) yes As4a O13b O12b . . 3_645 95.9(3) yes O7a O13b O8a 2_645 . 3_645 59.9(3) yes O7a O13b O9a 2_645 . . 64.2(3) yes O7a O13b O11a 2_645 . . 169.5(4) yes O7a O13b O12a 2_645 . . 129.7(4) yes O7a O13b O12b 2_645 . 3_645 89.1(3) yes O7a O13b O14b 2_645 . . 127.1(4) yes O8a O13b O9a 3_645 . . 92.7(3) yes O8a O13b O11a 3_645 . . 129.4(3) yes O8a O13b O12a 3_645 . . 69.9(3) yes O8a O13b O12b 3_645 . 3_645 59.9(3) yes O8a O13b O14b 3_645 . . 104.5(3) yes O9a O13b O11a . . . 108.1(3) yes O9a O13b O12a . . . 125.1(3) yes O9a O13b O12b . . 3_645 58.3(3) yes O9a O13b O14b . . . 162.6(4) yes O11a O13b O12a . . . 60.3(3) yes O11a O13b O12b . . 3_645 92.5(3) yes O11a O13b O14b . . . 58.6(3) yes O12a O13b O12b . . 3_645 68.4(3) yes O12a O13b O14b . . . 60.7(3) yes O12b O13b O14b 3_645 . . 128.9(3) yes Ag1b O13a Ag2a 3_745 . 2_645 78.1(2) yes Ag1b O13a Fe2b 3_745 . 1_545 99.6(3) yes Ag1b O13a As4b 3_745 . . 110.0(4) yes Ag1b O13a O7b 3_745 . 1_645 94.3(3) yes Ag1b O13a O8b 3_745 . 1_545 144.8(3) yes Ag1b O13a O9b 3_745 . 3_745 52.0(2) yes Ag1b O13a O11b 3_745 . . 74.2(2) yes Ag1b O13a O12a 3_745 . 3_645 98.9(3) yes Ag1b O13a O12b 3_745 . . 130.6(3) yes Ag1b O13a O14a 3_745 . . 110.1(3) yes Ag2a O13a Fe2b 2_645 . 1_545 125.8(3) yes Ag2a O13a As4b 2_645 . . 96.3(3) yes Ag2a O13a O7b 2_645 . 1_645 80.3(2) yes Ag2a O13a O8b 2_645 . 1_545 115.8(3) yes Ag2a O13a O9b 2_645 . 3_745 112.5(3) yes Ag2a O13a O11b 2_645 . . 98.5(3) yes Ag2a O13a O12a 2_645 . 3_645 168.1(3) yes Ag2a O13a O12b 2_645 . . 122.3(3) yes Ag2a O13a O14a 2_645 . . 63.1(2) yes Fe2b O13a As4b 1_545 . . 132.9(4) yes Fe2b O13a O7b 1_545 . 1_645 45.6(2) yes Fe2b O13a O8b 1_545 . 1_545 45.5(2) yes Fe2b O13a O9b 1_545 . 3_745 48.0(2) yes Fe2b O13a O11b 1_545 . . 133.5(4) yes Fe2b O13a O12b 1_545 . . 100.4(3) yes Fe2b O13a O14a 1_545 . . 150.3(4) yes As4b O13a O7b . . 1_645 154.4(4) yes As4b O13a O8b . . 1_545 100.8(4) yes As4b O13a O9b . . 3_745 138.2(4) yes As4b O13a O12a . . 3_645 95.6(3) yes O7b O13a O8b 1_645 . 1_545 59.5(3) yes O7b O13a O9b 1_645 . 3_745 64.2(3) yes O7b O13a O11b 1_645 . . 168.4(4) yes O7b O13a O12a 1_645 . 3_645 88.5(3) yes O7b O13a O12b 1_645 . . 130.9(4) yes O7b O13a O14a 1_645 . . 129.1(4) yes O8b O13a O9b 1_545 . 3_745 93.5(3) yes O8b O13a O11b 1_545 . . 130.0(3) yes O8b O13a O12a 1_545 . 3_645 60.6(3) yes O8b O13a O12b 1_545 . . 71.4(3) yes O8b O13a O14a 1_545 . . 104.9(3) yes O9b O13a O11b 3_745 . . 106.2(3) yes O9b O13a O12a 3_745 . 3_645 58.2(3) yes O9b O13a O12b 3_745 . . 124.5(4) yes O9b O13a O14a 3_745 . . 161.2(4) yes O11b O13a O12a . . 3_645 91.6(3) yes O11b O13a O12b . . . 59.4(3) yes O11b O13a O14a . . . 58.6(3) yes O12a O13a O12b 3_645 . . 68.4(3) yes O12a O13a O14a 3_645 . . 128.2(3) yes O12b O13a O14a . . . 60.0(3) yes Ag2b O14b Ag4b . . 3_556 72.4(2) yes Ag2b O14b Fe2b . . 1_455 108.1(3) yes Ag2b O14b As4a . . . 97.9(3) yes Ag2b O14b O7b . . . 67.3(2) yes Ag2b O14b O8b . . 1_455 121.3(3) yes Ag2b O14b O11a . . . 103.5(3) yes Ag2b O14b O12a . . . 122.4(3) yes Ag2b O14b O12a . . 3_555 142.6(3) yes Ag2b O14b O13b . . . 63.8(2) yes Ag4b O14b Fe2b 3_556 . 1_455 103.2(3) yes Ag4b O14b As4a 3_556 . . 121.9(4) yes Ag4b O14b O7b 3_556 . . 71.2(3) yes Ag4b O14b O8b 3_556 . 1_455 69.7(3) yes Ag4b O14b O11a 3_556 . . 160.7(4) yes Ag4b O14b O12a 3_556 . . 104.5(3) yes Ag4b O14b O12a 3_556 . 3_555 129.0(3) yes Ag4b O14b O13b 3_556 . . 101.4(3) yes Fe2b O14b As4a 1_455 . . 133.1(4) yes Fe2b O14b O7b 1_455 . . 46.1(2) yes Fe2b O14b O11a 1_455 . . 96.0(3) yes Fe2b O14b O12a 1_455 . . 127.6(4) yes Fe2b O14b O13b 1_455 . . 149.9(4) yes As4a O14b O7b . . . 157.5(4) yes As4a O14b O8b . . 1_455 140.2(4) yes As4a O14b O12a . . 3_555 93.7(3) yes O7b O14b O8b . . 1_455 59.1(3) yes O7b O14b O11a . . . 125.5(4) yes O7b O14b O12a . . . 168.4(4) yes O7b O14b O12a . . 3_555 89.5(3) yes O7b O14b O13b . . . 130.2(4) yes O8b O14b O11a 1_455 . . 125.6(3) yes O8b O14b O12a 1_455 . . 109.5(3) yes O8b O14b O12a 1_455 . 3_555 60.1(3) yes O8b O14b O13b 1_455 . . 165.5(4) yes O11a O14b O12a . . . 61.0(3) yes O11a O14b O12a . . 3_555 65.7(3) yes O11a O14b O13b . . . 60.9(3) yes O12a O14b O12a . . 3_555 85.1(3) yes O12a O14b O13b . . . 60.7(3) yes O12a O14b O12a 3_555 . . 85.1(3) yes O12a O14b O13b 3_555 . . 125.5(3) yes Ag4a O14a Fe2a 1_545 . . 104.9(3) yes Ag4a O14a As4b 1_545 . . 121.0(4) yes Ag4a O14a O7a 1_545 . 2_645 73.4(2) yes Ag4a O14a O8a 1_545 . 3_645 71.8(2) yes Ag4a O14a O11b 1_545 . . 159.8(3) yes Ag4a O14a O12b 1_545 . . 104.5(3) yes Ag4a O14a O12b 1_545 . 3_645 130.3(3) yes Ag4a O14a O13a 1_545 . . 100.5(3) yes Fe2a O14a As4b . . . 132.7(4) yes Fe2a O14a O7a . . 2_645 45.1(2) yes Fe2a O14a O11b . . . 95.3(3) yes Fe2a O14a O12b . . . 127.0(4) yes Fe2a O14a O13a . . . 148.9(4) yes As4b O14a O7a . . 2_645 156.5(4) yes As4b O14a O8a . . 3_645 140.4(4) yes As4b O14a O12b . . 3_645 93.1(3) yes O7a O14a O8a 2_645 . 3_645 58.9(3) yes O7a O14a O11b 2_645 . . 124.1(4) yes O7a O14a O12b 2_645 . . 168.3(4) yes O7a O14a O12b 2_645 . 3_645 89.2(3) yes O7a O14a O13a 2_645 . . 130.4(3) yes O8a O14a O11b 3_645 . . 124.4(3) yes O8a O14a O12b 3_645 . . 109.5(3) yes O8a O14a O12b 3_645 . 3_645 59.6(2) yes O8a O14a O13a 3_645 . . 166.8(4) yes O11b O14a O12b . . . 60.6(3) yes O11b O14a O12b . . 3_645 64.9(3) yes O11b O14a O13a . . . 61.0(3) yes O12b O14a O12b . . 3_645 83.6(3) yes O12b O14a O13a . . . 61.2(3) yes O12b O14a O12b 3_645 . . 83.6(3) yes O12b O14a O13a 3_645 . . 124.8(3) yes #======================================================================= # Attachment 'Ag7Fe3_As2O7_4_298K.cif' #======================================================================= data_2 _database_code_depnum_ccdc_archive 'CCDC 707713' #======================================================================= _audit_creation_method 'Jana2000 Version : 22/12/2005' # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Ag7 As8 Fe3 O28' _chemical_formula_weight 1970 _chemical_melting_point ? _chemical_compound_source ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,y,1/2-z 3 -x,-y,-z 4 x,-y,1/2+z 5 1/2+x,1/2+y,z 6 1/2-x,1/2+y,1/2-z 7 1/2-x,1/2-y,-z 8 1/2+x,1/2-y,1/2+z _cell_length_a 9.9285(3) _cell_length_b 8.6101(2) _cell_length_c 29.0390(8) _cell_angle_alpha 90 _cell_angle_beta 93.5228(11) _cell_angle_gamma 90 _cell_volume 2477.72(12) _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 298 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 5.2793 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 3579 _exptl_absorpt_coefficient_mu 17.833 _exptl_crystal_description plate-like _exptl_crystal_size_max 0.17 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _exptl_crystal_size_rad 90 _exptl_crystal_colour yellow _exptl_absorpt_correction_type None _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 298 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'BRUKER X8' _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number 31808 _diffrn_reflns_theta_min 1.41 _diffrn_reflns_theta_max 43.36 _diffrn_reflns_theta_full 43.22 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 0.95 _diffrn_reflns_av_R_equivalents 0.0415 _diffrn_reflns_av_sigmaI/netI 0.0339 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -56 _diffrn_reflns_limit_l_max 44 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 8844 _reflns_number_gt 7562 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0316 _refine_ls_wR_factor_gt 0.0332 _refine_ls_R_factor_all 0.0316 _refine_ls_wR_factor_ref 0.0332 _refine_ls_goodness_of_fit_ref 1.24 _refine_ls_goodness_of_fit_gt 1.24 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 7562 _refine_ls_number_parameters 276 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme unit _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0481 _refine_ls_shift/su_mean 0.0021 _refine_diff_density_max 1.87 _refine_diff_density_min -1.41 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 0.1953(19) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508 As 0.050 2.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 16.6723 2.6345 6.0701 0.2647 3.4313 12.9479 4.2779 47.797199 2.531 Fe 0.346 0.844 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 11.7695 4.7611 7.3573 0.3072 3.5222 15.3535 2.3045 76.880501 1.0369 Ag -0.897 1.102 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 19.2808 0.6446 16.688499 7.4726 4.8045 24.6605 1.0463 99.815598 5.179 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement '(Jana2000; Petricek and Dusek, 2000)' _computing_molecular_graphics ? _computing_publication_material '(Jana2000; Petricek and Dusek, 2000)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group As1 As 0.29914(3) 0.27251(4) 0.244881(9) Uani 0.00904(6) 8 1 d . . . As2 As 0.22055(3) 0.14531(3) 0.337092(9) Uani 0.00873(5) 8 1 d . . . As3 As 0.50902(3) 0.65672(3) 0.442475(9) Uani 0.00706(5) 8 1 d . . . As4 As 0.41431(3) 0.79555(3) 0.535421(9) Uani 0.00598(5) 8 1 d . . . Fe1 Fe 0 0.09580(6) 0.25 Uani 0.00791(10) 4 1 d . . . Fe2 Fe 0.31887(4) 0.97096(4) 0.435304(12) Uani 0.00658(7) 8 1 d . . . Ag1 Ag 0.2652(4) 0.3834(3) 0.4480(3) Uani 0.0179(4) 8 0.65(6) d . . . Ag1' Ag 0.2563(12) 0.3881(10) 0.4411(6) Uani 0.0216(8) 8 0.35(6) d . . . Ag2 Ag 0.5152(10) 0.3368(5) 0.3570(3) Uani 0.0259(4) 8 0.55(6) d . . . Ag2' Ag 0.4937(18) 0.3503(17) 0.3507(5) Uani 0.0237(10) 8 0.28(5) d . . . Ag3 Ag 0.5205(3) 0.94028(19) 0.31285(18) Uani 0.0478(8) 8 0.412(8) d . . . Ag3' Ag 0.5275(8) 0.9656(9) 0.2954(9) Uani 0.224(12) 8 0.132(5) d . . . Ag3'' Ag 0.4984(3) 0.9189(6) 0.32876(12) Uani 0.0497(7) 8 0.310(7) d . . . Ag4 Ag 0.2760(11) 0.6002(9) 0.3517(2) Uani 0.0509(13) 8 0.258(17) d . . . Ag4' Ag 0.3129(6) 0.5872(7) 0.34528(11) Uani 0.0374(7) 8 0.299(11) d . . . Ag4'' Ag 0.7883(7) 0.1471(13) 0.35520(14) Uani 0.0842(19) 8 0.259(11) d . . . O1 O 0.3741(3) 0.1995(3) 0.20022(8) Uani 0.0182(6) 8 1 d . . . O2 O 0.3607(2) 0.4411(3) 0.26531(8) Uani 0.0159(5) 8 1 d . . . O3 O 0.1295(2) 0.2761(3) 0.23741(8) Uani 0.0142(5) 8 1 d . . . O4 O 0.3294(2) 0.1423(3) 0.29117(7) Uani 0.0123(4) 8 1 d . . . O5 O 0.0644(2) 0.0974(3) 0.31632(7) Uani 0.0157(5) 8 1 d . . . O6 O 0.2242(4) 0.3220(3) 0.35894(10) Uani 0.0256(7) 8 1 d . . . O7 O 0.2876(3) -0.0032(3) 0.36795(7) Uani 0.0152(5) 8 1 d . . . O8 O 0.4785(2) 0.8387(2) 0.42463(8) Uani 0.0126(4) 8 1 d . . . O9 O 0.6754(2) 0.6273(3) 0.44999(8) Uani 0.0131(4) 8 1 d . . . O10 O 0.4302(2) 0.5209(3) 0.41104(8) Uani 0.0148(5) 8 1 d . . . O11 O 0.4502(2) 0.6446(2) 0.49796(7) Uani 0.0125(4) 8 1 d . . . O12 O 0.3452(2) 0.9418(2) 0.50413(7) Uani 0.0108(4) 8 1 d . . . O13 O 0.5578(2) 0.8422(3) 0.56469(8) Uani 0.0136(4) 8 1 d . . . O14 O 0.3067(2) 0.7159(3) 0.57063(7) Uani 0.0113(4) 8 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 As1 As 0.00759(9) 0.01184(10) 0.00771(9) -0.00312(8) 0.00060(7) 0.00172(8) As2 As 0.01009(10) 0.01069(10) 0.00527(8) -0.00040(8) -0.00081(7) 0.00112(7) As3 As 0.00653(9) 0.00712(9) 0.00768(9) 0.00064(7) 0.00160(7) -0.00017(7) As4 As 0.00571(8) 0.00662(9) 0.00563(8) -0.00038(7) 0.00055(6) 0.00072(7) Fe1 Fe 0.00666(17) 0.00933(18) 0.00758(16) 0 -0.00087(13) 0 Fe2 Fe 0.00660(11) 0.00722(12) 0.00590(11) 0.00020(9) 0.00026(9) 0.00123(9) Ag1 Ag 0.0179(4) 0.0124(4) 0.0245(9) -0.0026(4) 0.0091(5) -0.0061(4) Ag1' Ag 0.0238(11) 0.0195(10) 0.0229(19) -0.0103(8) 0.0122(10) -0.0091(8) Ag2 Ag 0.0415(9) 0.0247(4) 0.0123(8) -0.0051(8) 0.0086(8) -0.0059(4) Ag2' Ag 0.036(2) 0.0249(15) 0.0112(14) -0.0139(11) 0.0082(14) -0.0063(11) Ag3 Ag 0.0382(10) 0.0158(6) 0.085(2) 0.0072(5) -0.0292(11) -0.0154(7) Ag3' Ag 0.039(3) 0.020(2) 0.62(4) -0.014(2) 0.083(8) -0.087(7) Ag3'' Ag 0.0355(9) 0.0699(17) 0.0415(11) 0.0370(11) -0.0156(7) -0.0264(10) Ag4 Ag 0.051(3) 0.065(2) 0.0361(17) 0.0176(18) -0.002(2) 0.0351(17) Ag4' Ag 0.0347(13) 0.0583(16) 0.0177(7) -0.0184(10) -0.0103(6) 0.0156(8) Ag4'' Ag 0.126(4) 0.095(4) 0.0250(10) 0.050(3) -0.0453(17) -0.0121(16) O1 O 0.0223(10) 0.0232(11) 0.0099(7) -0.0033(9) 0.0070(7) -0.0010(7) O2 O 0.0160(9) 0.0140(8) 0.0180(9) -0.0077(7) 0.0030(7) -0.0004(7) O3 O 0.0085(7) 0.0137(8) 0.0200(9) -0.0030(6) -0.0016(6) 0.0057(7) O4 O 0.0097(7) 0.0172(8) 0.0101(7) 0.0008(6) 0.0004(5) 0.0045(6) O5 O 0.0094(7) 0.0287(11) 0.0089(7) -0.0036(7) -0.0008(6) 0.0030(7) O6 O 0.0452(17) 0.0129(9) 0.0190(10) -0.0026(10) 0.0048(11) -0.0047(8) O7 O 0.0242(10) 0.0141(8) 0.0068(7) 0.0033(7) -0.0024(6) 0.0031(6) O8 O 0.0112(7) 0.0092(7) 0.0178(8) 0.0035(6) 0.0041(6) 0.0048(6) O9 O 0.0069(6) 0.0112(7) 0.0215(9) 0.0026(6) 0.0030(6) 0.0016(7) O10 O 0.0173(9) 0.0158(9) 0.0113(7) -0.0054(7) 0.0015(6) -0.0049(7) O11 O 0.0199(9) 0.0084(7) 0.0100(7) 0.0027(6) 0.0067(6) 0.0001(6) O12 O 0.0142(7) 0.0111(7) 0.0070(6) 0.0051(6) -0.0007(5) 0.0013(5) O13 O 0.0096(7) 0.0122(8) 0.0180(8) -0.0038(6) -0.0062(6) 0.0043(7) O14 O 0.0126(7) 0.0120(7) 0.0100(7) -0.0044(6) 0.0051(6) -0.0004(6) #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag As1 O1 . . 1.658(3) yes As1 O2 . . 1.670(2) yes As1 O3 . . 1.685(2) yes As1 O4 . . 1.762(2) yes As2 O4 . . 1.767(2) yes As2 O5 . . 1.680(2) yes As2 O6 . . 1.648(3) yes As2 O7 . . 1.676(2) yes As3 O8 . . 1.672(2) yes As3 O9 . . 1.672(2) yes As3 O10 . . 1.651(2) yes As3 O11 . . 1.750(2) yes As4 O11 . . 1.746(2) yes As4 O12 . . 1.674(2) yes As4 O13 . . 1.663(2) yes As4 O14 . . 1.671(2) yes Fe1 O2 . 5_445 1.990(2) yes Fe1 O2 . 6_545 1.990(2) yes Fe1 O3 . . 2.063(2) yes Fe1 O3 . 2_555 2.063(2) yes Fe1 O5 . . 1.992(2) yes Fe1 O5 . 2_555 1.992(2) yes Fe2 O7 . 1_565 1.974(2) yes Fe2 O8 . . 1.991(2) yes Fe2 O9 . 5_455 2.024(2) yes Fe2 O12 . . 2.0155(19) yes Fe2 O13 . 3_676 2.022(2) yes Fe2 O14 . 7_566 2.036(2) yes Ag1 Ag1' . . 0.217(18) yes Ag1 O6 . . 2.647(9) yes Ag1 O8 . 5_445 2.911(5) yes Ag1 O9 . 5_445 2.381(4) yes Ag1 O9 . 3_666 2.986(9) yes Ag1 O10 . . 2.335(6) yes Ag1 O12 . 7_566 2.364(7) yes Ag1 O13 . 3_666 2.660(4) yes Ag1' O6 . . 2.456(18) yes Ag1' O8 . 5_445 2.804(12) yes Ag1' O9 . 5_445 2.404(9) yes Ag1' O10 . . 2.288(13) yes Ag1' O12 . 7_566 2.426(14) yes Ag1' O13 . 3_666 2.721(11) yes Ag2 Ag2' . . 0.296(18) yes Ag2 Ag4' . . 2.953(9) yes Ag2 O1 . 2_655 2.365(9) yes Ag2 O5 . 5_555 2.596(6) yes Ag2 O6 . . 2.896(11) yes Ag2 O10 . . 2.418(8) yes Ag2 O13 . 3_666 2.875(8) yes Ag2 O14 . 3_666 2.700(9) yes Ag2' Ag4' . . 2.716(17) yes Ag2' O1 . 2_655 2.416(17) yes Ag2' O2 . . 2.847(15) yes Ag2' O4 . . 2.918(16) yes Ag2' O5 . 5_555 2.470(15) yes Ag2' O6 . . 2.712(19) yes Ag2' O10 . . 2.399(16) yes Ag2' O14 . 3_666 2.985(16) yes Ag3 Ag3' . . 0.56(3) yes Ag3 Ag3'' . . 0.555(6) yes Ag3 O1 . 2_665 2.504(4) yes Ag3 O3 . 5_555 2.874(5) yes Ag3 O3 . 6_555 2.466(4) yes Ag3 O4 . 1_565 2.622(3) yes Ag3 O5 . 5_555 2.986(3) yes Ag3 O6 . 5_555 2.567(5) yes Ag3 O7 . 1_565 2.932(5) yes Ag3' Ag3' . 2_655 2.66(4) yes Ag3' Ag3'' . . 1.10(2) yes Ag3' O1 . 2_665 2.239(8) yes Ag3' O3 . 5_555 2.596(19) yes Ag3' O3 . 6_555 2.412(12) yes Ag3' O4 . 1_565 2.484(8) yes Ag3' O6 . 5_555 2.881(18) yes Ag3'' O1 . 2_665 2.877(5) yes Ag3'' O3 . 6_555 2.553(4) yes Ag3'' O4 . 1_565 2.735(5) yes Ag3'' O5 . 5_555 2.873(6) yes Ag3'' O6 . 5_555 2.500(5) yes Ag3'' O7 . 1_565 2.533(4) yes Ag3'' O8 . . 2.887(4) yes Ag4 Ag4' . . 0.435(11) yes Ag4 Ag4'' . 5_455 0.433(14) yes Ag4 O1 . 6_555 2.224(9) yes Ag4 O6 . . 2.462(8) yes Ag4 O10 . . 2.336(8) yes Ag4 O14 . 7_566 2.916(8) yes Ag4' Ag4'' . 5_455 0.646(11) yes Ag4' O1 . 6_555 2.414(6) yes Ag4' O2 . . 2.709(5) yes Ag4' O3 . 6_555 2.984(5) yes Ag4' O5 . 5_555 2.685(6) yes Ag4' O6 . . 2.488(6) yes Ag4' O10 . . 2.249(5) yes Ag4'' O1 . 2_655 2.253(7) yes Ag4'' O6 . 5_545 2.874(12) yes Ag4'' O10 . 5_545 2.348(8) yes Ag4'' O14 . 3_666 2.678(7) yes O1 O2 . . 2.819(4) yes O1 O3 . . 2.797(3) yes O1 O4 . . 2.750(3) yes O1 O4 . 2_655 2.980(3) yes O2 O2 . 2_655 2.957(4) yes O2 O3 . . 2.777(3) yes O2 O3 . 6_555 2.887(3) yes O2 O4 . . 2.703(3) yes O2 O4 . 6_555 2.979(3) yes O2 O5 . 5_555 2.780(3) yes O2 O5 . 6_555 2.863(3) yes O3 O3 . 2_555 2.717(3) yes O3 O4 . . 2.706(3) yes O3 O5 . . 2.867(3) yes O3 O5 . 2_555 2.853(3) yes O4 O5 . . 2.800(3) yes O4 O6 . . 2.759(4) yes O4 O7 . . 2.613(3) yes O5 O6 . . 2.748(4) yes O5 O7 . . 2.739(3) yes O6 O7 . . 2.879(4) yes O7 O8 . 1_545 2.787(3) yes O7 O9 . 5_445 2.917(3) yes O7 O13 . 3_666 2.781(3) yes O7 O14 . 7_556 2.759(3) yes O8 O9 . . 2.739(3) yes O8 O10 . . 2.801(3) yes O8 O11 . . 2.735(3) yes O8 O12 . . 2.871(3) yes O8 O13 . 3_676 2.792(3) yes O8 O14 . 7_566 2.881(3) yes O9 O10 . . 2.776(3) yes O9 O11 . . 2.710(3) yes O9 O12 . 5_545 2.746(3) yes O9 O13 . 7_666 2.721(3) yes O10 O11 . . 2.735(3) yes O11 O11 . 3_666 2.679(3) yes O11 O12 . . 2.773(3) yes O11 O13 . . 2.745(3) yes O11 O14 . . 2.689(3) yes O12 O13 . . 2.798(3) yes O12 O13 . 3_676 2.935(3) yes O12 O14 . . 2.784(3) yes O12 O14 . 7_566 2.903(3) yes O13 O14 . . 2.736(3) yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O1 As1 O2 . . . 115.80(13) yes O1 As1 O3 . . . 113.54(12) yes O1 As1 O4 . . . 106.97(12) yes O2 As1 O3 . . . 111.77(12) yes O2 As1 O4 . . . 103.93(11) yes O3 As1 O4 . . . 103.42(11) yes O4 As2 O5 . . . 108.60(10) yes O4 As2 O6 . . . 107.69(14) yes O4 As2 O7 . . . 98.68(11) yes O5 As2 O6 . . . 111.30(15) yes O5 As2 O7 . . . 109.39(13) yes O6 As2 O7 . . . 120.00(13) yes O8 As3 O9 . . . 109.97(11) yes O8 As3 O10 . . . 114.92(11) yes O8 As3 O11 . . . 106.07(11) yes O9 As3 O10 . . . 113.32(11) yes O9 As3 O11 . . . 104.69(11) yes O10 As3 O11 . . . 107.03(11) yes O11 As4 O12 . . . 108.31(10) yes O11 As4 O13 . . . 107.27(11) yes O11 As4 O14 . . . 103.78(10) yes O12 As4 O13 . . . 113.91(11) yes O12 As4 O14 . . . 112.62(10) yes O13 As4 O14 . . . 110.28(11) yes O2 Fe1 O2 5_445 . 6_545 95.97(10) yes O2 Fe1 O3 5_445 . . 173.07(10) yes O2 Fe1 O3 5_445 . 2_555 90.85(9) yes O2 Fe1 O5 5_445 . . 88.55(10) yes O2 Fe1 O5 5_445 . 2_555 91.96(10) yes O2 Fe1 O2 6_545 . 5_445 95.97(10) yes O2 Fe1 O3 6_545 . . 90.85(9) yes O2 Fe1 O3 6_545 . 2_555 173.07(10) yes O2 Fe1 O5 6_545 . . 91.96(10) yes O2 Fe1 O5 6_545 . 2_555 88.55(10) yes O3 Fe1 O3 . . 2_555 82.37(9) yes O3 Fe1 O5 . . . 89.99(10) yes O3 Fe1 O5 . . 2_555 89.43(10) yes O3 Fe1 O3 2_555 . . 82.37(9) yes O3 Fe1 O5 2_555 . . 89.43(10) yes O3 Fe1 O5 2_555 . 2_555 89.99(10) yes O5 Fe1 O5 . . 2_555 179.23(12) yes O5 Fe1 O5 2_555 . . 179.23(12) yes O7 Fe2 O8 1_565 . . 89.33(10) yes O7 Fe2 O9 1_565 . 5_455 93.67(10) yes O7 Fe2 O12 1_565 . . 178.28(10) yes O7 Fe2 O13 1_565 . 3_676 88.21(10) yes O7 Fe2 O14 1_565 . 7_566 86.96(9) yes O8 Fe2 O9 . . 5_455 171.99(9) yes O8 Fe2 O12 . . . 91.54(9) yes O8 Fe2 O13 . . 3_676 88.15(9) yes O8 Fe2 O14 . . 7_566 91.36(9) yes O9 Fe2 O12 5_455 . . 85.65(9) yes O9 Fe2 O13 5_455 . 3_676 84.53(9) yes O9 Fe2 O14 5_455 . 7_566 96.21(9) yes O12 Fe2 O13 . . 3_676 93.29(9) yes O12 Fe2 O14 . . 7_566 91.54(8) yes O13 Fe2 O14 3_676 . 7_566 175.15(9) yes Ag1' Ag1 O8 . . 5_445 58(4) yes Ag1' Ag1 O9 . . 5_445 94(2) yes Ag1' Ag1 O9 . . 3_666 164(4) yes Ag1' Ag1 O10 . . . 75(3) yes Ag1' Ag1 O12 . . 7_566 104(3) yes Ag1' Ag1 O13 . . 3_666 104(3) yes O6 Ag1 O8 . . 5_445 69.90(18) yes O6 Ag1 O9 . . 5_445 78.7(2) yes O6 Ag1 O9 . . 3_666 166.51(14) yes O6 Ag1 O10 . . . 73.9(3) yes O6 Ag1 O12 . . 7_566 130.7(2) yes O6 Ag1 O13 . . 3_666 77.4(2) yes O8 Ag1 O9 5_445 . 5_445 61.36(11) yes O8 Ag1 O9 5_445 . 3_666 111.0(2) yes O8 Ag1 O10 5_445 . . 131.5(3) yes O8 Ag1 O12 5_445 . 7_566 74.87(13) yes O8 Ag1 O13 5_445 . 3_666 121.05(16) yes O9 Ag1 O9 5_445 . 3_666 89.9(2) yes O9 Ag1 O10 5_445 . . 139.0(3) yes O9 Ag1 O12 5_445 . 7_566 112.8(3) yes O9 Ag1 O13 5_445 . 3_666 65.07(10) yes O9 Ag1 O9 3_666 . 5_445 89.9(2) yes O9 Ag1 O10 3_666 . . 111.7(2) yes O9 Ag1 O12 3_666 . 7_566 60.5(2) yes O9 Ag1 O13 3_666 . 3_666 91.33(19) yes O10 Ag1 O12 . . 7_566 108.13(14) yes O10 Ag1 O13 . . 3_666 79.55(17) yes O12 Ag1 O13 7_566 . 3_666 151.7(4) yes Ag1 Ag1' O6 . . . 151(3) yes Ag1 Ag1' O8 . . 5_445 118(4) yes Ag1 Ag1' O9 . . 5_445 81(2) yes Ag1 Ag1' O10 . . . 100(3) yes Ag1 Ag1' O12 . . 7_566 71(3) yes Ag1 Ag1' O13 . . 3_666 71(3) yes O6 Ag1' O8 . . 5_445 74.4(4) yes O6 Ag1' O9 . . 5_445 82.1(4) yes O6 Ag1' O10 . . . 78.5(5) yes O6 Ag1' O12 . . 7_566 137.9(5) yes O6 Ag1' O13 . . 3_666 79.5(4) yes O8 Ag1' O9 5_445 . 5_445 62.9(3) yes O8 Ag1' O10 5_445 . . 140.2(6) yes O8 Ag1' O12 5_445 . 7_566 76.1(3) yes O8 Ag1' O13 5_445 . 3_666 122.9(3) yes O9 Ag1' O10 5_445 . . 140.6(6) yes O9 Ag1' O12 5_445 . 7_566 109.8(6) yes O9 Ag1' O13 5_445 . 3_666 63.8(2) yes O10 Ag1' O12 . . 7_566 107.6(4) yes O10 Ag1' O13 . . 3_666 79.1(4) yes O12 Ag1' O13 7_566 . 3_666 142.3(7) yes Ag2' Ag2 O1 . . 2_655 96(3) yes Ag2' Ag2 O5 . . 5_555 62(3) yes Ag2' Ag2 O6 . . . 49(4) yes Ag2' Ag2 O10 . . . 83(3) yes Ag2' Ag2 O13 . . 3_666 119(4) yes Ag2' Ag2 O14 . . 3_666 164(3) yes Ag4' Ag2 O1 . . 2_655 128.7(3) yes Ag4' Ag2 O5 . . 5_555 57.44(16) yes Ag4' Ag2 O6 . . . 50.3(2) yes Ag4' Ag2 O10 . . . 48.24(16) yes Ag4' Ag2 O13 . . 3_666 106.3(3) yes Ag4' Ag2 O14 . . 3_666 128.4(3) yes O1 Ag2 O5 2_655 . 5_555 90.2(3) yes O1 Ag2 O6 2_655 . . 119.9(3) yes O1 Ag2 O10 2_655 . . 168.3(4) yes O1 Ag2 O13 2_655 . 3_666 116.02(18) yes O1 Ag2 O14 2_655 . 3_666 98.8(3) yes O5 Ag2 O6 5_555 . . 105.2(3) yes O5 Ag2 O10 5_555 . . 79.15(14) yes O5 Ag2 O13 5_555 . 3_666 152.5(3) yes O5 Ag2 O14 5_555 . 3_666 111.5(3) yes O6 Ag2 O10 . . . 68.2(3) yes O6 Ag2 O13 . . 3_666 70.2(2) yes O6 Ag2 O14 . . 3_666 125.8(3) yes O10 Ag2 O13 . . 3_666 74.0(3) yes O10 Ag2 O14 . . 3_666 81.0(3) yes O13 Ag2 O14 3_666 . 3_666 58.68(18) yes Ag2 Ag2' Ag4' . . . 141(3) yes Ag2 Ag2' O1 . . 2_655 77(3) yes Ag2 Ag2' O2 . . . 157(4) yes Ag2 Ag2' O4 . . . 119(3) yes Ag2 Ag2' O5 . . 5_555 112(4) yes Ag2 Ag2' O6 . . . 126(4) yes Ag2 Ag2' O10 . . . 90(3) yes Ag2 Ag2' O14 . . 3_666 15(3) yes Ag4' Ag2' O1 . . 2_655 138.6(6) yes Ag4' Ag2' O2 . . . 58.2(3) yes Ag4' Ag2' O4 . . . 94.7(5) yes Ag4' Ag2' O5 . . 5_555 62.1(4) yes Ag4' Ag2' O6 . . . 54.6(4) yes Ag4' Ag2' O10 . . . 51.7(3) yes Ag4' Ag2' O14 . . 3_666 126.4(5) yes O1 Ag2' O2 2_655 . . 81.6(4) yes O1 Ag2' O4 2_655 . . 67.2(4) yes O1 Ag2' O5 2_655 . 5_555 92.1(6) yes O1 Ag2' O6 2_655 . . 125.6(6) yes O1 Ag2' O10 2_655 . . 162.4(8) yes O1 Ag2' O14 2_655 . 3_666 90.3(5) yes O2 Ag2' O4 . . . 55.9(3) yes O2 Ag2' O5 . . 5_555 62.6(3) yes O2 Ag2' O6 . . . 72.2(4) yes O2 Ag2' O10 . . . 109.8(6) yes O2 Ag2' O14 . . 3_666 165.8(7) yes O4 Ag2' O5 . . 5_555 116.8(5) yes O4 Ag2' O6 . . . 58.5(3) yes O4 Ag2' O10 . . . 130.2(7) yes O4 Ag2' O14 . . 3_666 131.1(5) yes O5 Ag2' O6 5_555 . . 114.8(6) yes O5 Ag2' O10 5_555 . . 82.1(5) yes O5 Ag2' O14 5_555 . 3_666 106.4(6) yes O6 Ag2' O10 . . . 71.7(5) yes O6 Ag2' O14 . . 3_666 121.9(6) yes O10 Ag2' O14 . . 3_666 75.6(4) yes Ag3' Ag3 Ag3'' . . . 163.8(11) yes Ag3' Ag3 O1 . . 2_665 55.9(14) yes Ag3' Ag3 O3 . . 5_555 55.1(12) yes Ag3' Ag3 O3 . . 6_555 78.0(13) yes Ag3' Ag3 O4 . . 1_565 69.7(9) yes Ag3' Ag3 O5 . . 5_555 113.0(13) yes Ag3' Ag3 O6 . . 5_555 119.3(9) yes Ag3' Ag3 O7 . . 1_565 125.1(9) yes Ag3'' Ag3 O1 . . 2_665 127.7(6) yes Ag3'' Ag3 O3 . . 5_555 131.2(5) yes Ag3'' Ag3 O3 . . 6_555 92.8(5) yes Ag3'' Ag3 O4 . . 1_565 95.9(5) yes Ag3'' Ag3 O5 . . 5_555 73.0(5) yes Ag3'' Ag3 O6 . . 5_555 76.9(5) yes O1 Ag3 O3 2_665 . 5_555 98.19(16) yes O1 Ag3 O3 2_665 . 6_555 131.6(2) yes O1 Ag3 O4 2_665 . 1_565 71.05(9) yes O1 Ag3 O5 2_665 . 5_555 145.61(15) yes O1 Ag3 O6 2_665 . 5_555 96.28(13) yes O1 Ag3 O7 2_665 . 1_565 106.60(12) yes O3 Ag3 O3 5_555 . 6_555 60.59(12) yes O3 Ag3 O4 5_555 . 1_565 116.37(19) yes O3 Ag3 O5 5_555 . 5_555 58.55(8) yes O3 Ag3 O6 5_555 . 5_555 83.15(11) yes O3 Ag3 O7 5_555 . 1_565 147.57(13) yes O3 Ag3 O3 6_555 . 5_555 60.59(12) yes O3 Ag3 O4 6_555 . 1_565 80.58(12) yes O3 Ag3 O5 6_555 . 5_555 62.27(8) yes O3 Ag3 O6 6_555 . 5_555 120.62(11) yes O3 Ag3 O7 6_555 . 1_565 87.15(11) yes O4 Ag3 O5 1_565 . 5_555 140.02(13) yes O4 Ag3 O6 1_565 . 5_555 157.50(18) yes O4 Ag3 O7 1_565 . 1_565 55.79(9) yes O5 Ag3 O6 5_555 . 5_555 58.75(9) yes O5 Ag3 O7 5_555 . 1_565 105.31(12) yes O6 Ag3 O7 5_555 . 1_565 113.8(2) yes Ag3 Ag3' Ag3' . . 2_655 150.2(14) yes Ag3 Ag3' O1 . . 2_665 112(2) yes Ag3 Ag3' O3 . . 5_555 114.7(10) yes Ag3 Ag3' O3 . . 6_555 88.9(10) yes Ag3 Ag3' O4 . . 1_565 98.2(13) yes Ag3 Ag3' O6 . . 5_555 51.0(9) yes Ag3' Ag3' Ag3'' 2_655 . . 145.2(8) yes Ag3' Ag3' O1 2_655 . 2_665 96.8(8) yes Ag3' Ag3' O3 2_655 . 5_555 54.6(5) yes Ag3' Ag3' O3 2_655 . 6_555 61.3(6) yes Ag3' Ag3' O4 2_655 . 1_565 80.6(6) yes Ag3' Ag3' O6 2_655 . 5_555 136.4(6) yes Ag3'' Ag3' O1 . . 2_665 114.5(14) yes Ag3'' Ag3' O3 . . 5_555 118.3(6) yes Ag3'' Ag3' O3 . . 6_555 84.4(5) yes Ag3'' Ag3' O4 . . 1_565 91.0(7) yes Ag3'' Ag3' O6 . . 5_555 59.0(7) yes O1 Ag3' O3 2_665 . 5_555 114.6(7) yes O1 Ag3' O3 2_665 . 6_555 154.1(10) yes O1 Ag3' O4 2_665 . 1_565 78.1(3) yes O1 Ag3' O6 2_665 . 5_555 94.2(5) yes O3 Ag3' O3 5_555 . 6_555 65.6(5) yes O3 Ag3' O4 5_555 . 1_565 133.8(10) yes O3 Ag3' O6 5_555 . 5_555 82.5(2) yes O3 Ag3' O3 6_555 . 5_555 65.6(5) yes O3 Ag3' O4 6_555 . 1_565 84.5(3) yes O3 Ag3' O6 6_555 . 5_555 111.1(4) yes O4 Ag3' O6 1_565 . 5_555 143.0(10) yes Ag3 Ag3'' O3 . . 6_555 74.7(5) yes Ag3 Ag3'' O4 . . 1_565 72.5(5) yes Ag3 Ag3'' O5 . . 5_555 96.3(5) yes Ag3 Ag3'' O6 . . 5_555 90.7(5) yes Ag3 Ag3'' O7 . . 1_565 131.7(6) yes Ag3 Ag3'' O8 . . . 159.5(5) yes Ag3' Ag3'' O1 . . 2_665 45.1(7) yes Ag3' Ag3'' O3 . . 6_555 70.1(7) yes Ag3' Ag3'' O4 . . 1_565 65.2(5) yes Ag3' Ag3'' O5 . . 5_555 99.6(6) yes Ag3' Ag3'' O6 . . 5_555 98.7(5) yes Ag3' Ag3'' O7 . . 1_565 124.5(5) yes Ag3' Ag3'' O8 . . . 166.1(7) yes O1 Ag3'' O3 2_665 . 6_555 113.07(15) yes O1 Ag3'' O4 2_665 . 1_565 64.09(12) yes O1 Ag3'' O5 2_665 . 5_555 131.66(15) yes O1 Ag3'' O6 2_665 . 5_555 88.96(14) yes O1 Ag3'' O7 2_665 . 1_565 107.44(18) yes O1 Ag3'' O8 2_665 . . 122.73(15) yes O3 Ag3'' O4 6_555 . 1_565 76.92(11) yes O3 Ag3'' O5 6_555 . 5_555 63.12(12) yes O3 Ag3'' O6 6_555 . 5_555 119.81(19) yes O3 Ag3'' O7 6_555 . 1_565 94.52(13) yes O3 Ag3'' O8 6_555 . . 123.36(17) yes O4 Ag3'' O5 1_565 . 5_555 140.03(15) yes O4 Ag3'' O6 1_565 . 5_555 152.8(2) yes O4 Ag3'' O7 1_565 . 1_565 59.31(11) yes O4 Ag3'' O8 1_565 . . 118.44(15) yes O5 Ag3'' O6 5_555 . 5_555 61.05(12) yes O5 Ag3'' O7 5_555 . 1_565 120.82(17) yes O5 Ag3'' O8 5_555 . . 85.42(13) yes O6 Ag3'' O7 5_555 . 1_565 132.74(17) yes O6 Ag3'' O8 5_555 . . 72.26(12) yes O7 Ag3'' O8 1_565 . . 61.48(10) yes Ag4' Ag4 Ag4'' . . 5_455 96(2) yes Ag4' Ag4 O1 . . 6_555 110.9(10) yes Ag4' Ag4 O6 . . . 88.4(13) yes Ag4' Ag4 O10 . . . 73.1(11) yes Ag4' Ag4 O14 . . 7_566 138.9(13) yes Ag4'' Ag4 O1 5_455 . 6_555 88.2(14) yes Ag4'' Ag4 O6 5_455 . . 161.0(12) yes Ag4'' Ag4 O10 5_455 . . 86.3(14) yes Ag4'' Ag4 O14 5_455 . 7_566 53.0(12) yes O1 Ag4 O6 6_555 . . 107.3(4) yes O1 Ag4 O10 6_555 . . 173.6(4) yes O1 Ag4 O14 6_555 . 7_566 96.1(3) yes O6 Ag4 O10 . . . 77.5(2) yes O6 Ag4 O14 . . 7_566 113.1(3) yes O10 Ag4 O14 . . 7_566 77.89(18) yes Ag2 Ag4' Ag4 . . . 136.3(12) yes Ag2 Ag4' Ag4'' . . 5_455 143.6(7) yes Ag2 Ag4' O1 . . 6_555 148.3(2) yes Ag2 Ag4' O2 . . . 66.8(2) yes Ag2 Ag4' O3 . . 6_555 109.2(2) yes Ag2 Ag4' O5 . . 5_555 54.6(2) yes Ag2 Ag4' O6 . . . 63.6(2) yes Ag2 Ag4' O10 . . . 53.4(2) yes Ag2' Ag4' Ag4 . . . 137.6(13) yes Ag2' Ag4' Ag4'' . . 5_455 147.2(7) yes Ag2' Ag4' O1 . . 6_555 144.7(4) yes Ag2' Ag4' O2 . . . 63.3(3) yes Ag2' Ag4' O3 . . 6_555 107.3(4) yes Ag2' Ag4' O5 . . 5_555 54.4(4) yes Ag2' Ag4' O6 . . . 62.6(4) yes Ag2' Ag4' O10 . . . 56.9(3) yes Ag4 Ag4' Ag4'' . . 5_455 41.8(14) yes Ag4 Ag4' O1 . . 6_555 59.4(10) yes Ag4 Ag4' O2 . . . 132.9(12) yes Ag4 Ag4' O3 . . 6_555 114.3(11) yes Ag4 Ag4' O5 . . 5_555 161.5(14) yes Ag4 Ag4' O6 . . . 81.5(13) yes Ag4 Ag4' O10 . . . 96.2(10) yes Ag4'' Ag4' O1 5_455 . 6_555 68.0(6) yes Ag4'' Ag4' O2 5_455 . . 147.6(7) yes Ag4'' Ag4' O3 5_455 . 6_555 91.2(8) yes Ag4'' Ag4' O5 5_455 . 5_555 119.9(10) yes Ag4'' Ag4' O6 5_455 . . 121.0(9) yes Ag4'' Ag4' O10 5_455 . . 90.8(6) yes O1 Ag4' O2 6_555 . . 83.47(13) yes O1 Ag4' O3 6_555 . 6_555 61.34(12) yes O1 Ag4' O5 6_555 . 5_555 120.97(18) yes O1 Ag4' O6 6_555 . . 100.8(2) yes O1 Ag4' O10 6_555 . . 155.2(2) yes O2 Ag4' O3 . . 6_555 60.72(10) yes O2 Ag4' O5 . . 5_555 62.04(13) yes O2 Ag4' O6 . . . 78.04(17) yes O2 Ag4' O10 . . . 120.1(2) yes O3 Ag4' O5 6_555 . 5_555 60.16(12) yes O3 Ag4' O6 6_555 . . 135.70(17) yes O3 Ag4' O10 6_555 . . 135.0(3) yes O5 Ag4' O6 5_555 . . 115.1(2) yes O5 Ag4' O10 5_555 . . 80.28(19) yes O6 Ag4' O10 . . . 78.54(18) yes Ag4 Ag4'' O1 5_545 . 2_655 80.7(13) yes Ag4 Ag4'' O10 5_545 . 5_545 83.1(15) yes Ag4 Ag4'' O14 5_545 . 3_666 119.6(14) yes Ag4' Ag4'' O1 5_545 . 2_655 96.6(6) yes Ag4' Ag4'' O6 5_545 . 5_545 47.9(9) yes Ag4' Ag4'' O10 5_545 . 5_545 73.3(7) yes Ag4' Ag4'' O14 5_545 . 3_666 150.7(9) yes O1 Ag4'' O6 2_655 . 5_545 94.1(3) yes O1 Ag4'' O10 2_655 . 5_545 163.5(5) yes O1 Ag4'' O14 2_655 . 3_666 102.4(3) yes O6 Ag4'' O10 5_545 . 5_545 69.4(3) yes O6 Ag4'' O14 5_545 . 3_666 108.0(3) yes O10 Ag4'' O14 5_545 . 3_666 82.77(14) yes As1 O1 Ag2 . . 2_655 127.6(2) yes As1 O1 Ag2' . . 2_655 124.2(4) yes As1 O1 Ag3 . . 2_645 131.93(17) yes As1 O1 Ag3' . . 2_645 120.8(7) yes As1 O1 Ag3'' . . 2_645 140.69(15) yes As1 O1 Ag4 . . 6_545 111.2(3) yes As1 O1 Ag4' . . 6_545 102.28(17) yes As1 O1 Ag4'' . . 2_655 107.4(2) yes As1 O1 O4 . . 2_655 119.06(12) yes Ag2 O1 Ag3 2_655 . 2_645 97.0(2) yes Ag2 O1 Ag3' 2_655 . 2_645 105.6(6) yes Ag2 O1 Ag3'' 2_655 . 2_645 88.99(19) yes Ag2 O1 Ag4 2_655 . 6_545 92.1(3) yes Ag2 O1 Ag4' 2_655 . 6_545 101.0(3) yes Ag2 O1 Ag4'' 2_655 . 2_655 86.6(3) yes Ag2 O1 O2 2_655 . . 98.39(18) yes Ag2 O1 O3 2_655 . . 127.3(2) yes Ag2 O1 O4 2_655 . . 151.0(2) yes Ag2 O1 O4 2_655 . 2_655 69.0(2) yes Ag2' O1 Ag3 2_655 . 2_645 98.0(4) yes Ag2' O1 Ag3' 2_655 . 2_645 105.5(6) yes Ag2' O1 Ag3'' 2_655 . 2_645 90.4(4) yes Ag2' O1 Ag4 2_655 . 6_545 99.1(4) yes Ag2' O1 Ag4' 2_655 . 6_545 108.0(4) yes Ag2' O1 Ag4'' 2_655 . 2_655 93.6(4) yes Ag2' O1 O2 2_655 . . 93.7(4) yes Ag2' O1 O3 2_655 . . 128.8(4) yes Ag2' O1 O4 2_655 . . 144.2(4) yes Ag2' O1 O4 2_655 . 2_655 64.5(4) yes Ag3 O1 Ag4 2_645 . 6_545 79.8(3) yes Ag3 O1 Ag4' 2_645 . 6_545 82.79(18) yes Ag3 O1 Ag4'' 2_645 . 2_655 90.0(3) yes Ag3 O1 O2 2_645 . . 142.82(15) yes Ag3 O1 O3 2_645 . . 130.51(14) yes Ag3 O1 O4 2_645 . . 94.56(15) yes Ag3 O1 O4 2_645 . 2_655 56.32(10) yes Ag3' O1 Ag4 2_645 . 6_545 87.9(5) yes Ag3' O1 Ag4' 2_645 . 6_545 89.4(4) yes Ag3' O1 Ag4'' 2_645 . 2_655 98.7(6) yes Ag3' O1 O2 2_645 . . 131.7(7) yes Ag3' O1 O3 2_645 . . 125.2(4) yes Ag3' O1 O4 2_645 . . 83.1(7) yes Ag3' O1 O4 2_645 . 2_655 54.6(2) yes Ag3'' O1 Ag4 2_645 . 6_545 76.6(3) yes Ag3'' O1 Ag4' 2_645 . 6_545 80.84(17) yes Ag3'' O1 Ag4'' 2_645 . 2_655 86.1(3) yes Ag3'' O1 O2 2_645 . . 148.81(12) yes Ag3'' O1 O3 2_645 . . 135.97(14) yes Ag3'' O1 O4 2_645 . . 103.32(12) yes Ag3'' O1 O4 2_645 . 2_655 55.65(10) yes Ag4 O1 O2 6_545 . . 132.9(3) yes Ag4 O1 O3 6_545 . . 77.9(3) yes Ag4 O1 O4 6_545 . . 116.1(2) yes Ag4 O1 O4 6_545 . 2_655 127.6(3) yes Ag4' O1 O2 6_545 . . 126.59(17) yes Ag4' O1 O3 6_545 . . 69.44(14) yes Ag4' O1 O4 6_545 . . 106.85(14) yes Ag4' O1 O4 6_545 . 2_655 134.62(17) yes Ag4'' O1 O2 2_655 . . 124.4(3) yes Ag4'' O1 O3 2_655 . . 73.9(2) yes Ag4'' O1 O4 2_655 . . 120.0(2) yes Ag4'' O1 O4 2_655 . 2_655 133.4(2) yes O2 O1 O3 . . . 59.28(9) yes O2 O1 O4 . . . 58.07(8) yes O2 O1 O4 . . 2_655 98.79(10) yes O3 O1 O4 . . . 58.40(8) yes O3 O1 O4 . . 2_655 152.05(11) yes O4 O1 O4 . . 2_655 96.13(9) yes O4 O1 O4 2_655 . . 96.13(9) yes As1 O2 Fe1 . . 5_555 138.31(15) yes As1 O2 Ag2' . . . 102.2(3) yes As1 O2 Ag4' . . . 128.96(17) yes As1 O2 O2 . . 2_655 102.82(12) yes As1 O2 O3 . . 6_555 150.58(13) yes As1 O2 O4 . . 6_555 95.99(11) yes As1 O2 O5 . . 5_555 148.05(14) yes As1 O2 O5 . . 6_555 102.85(12) yes Fe1 O2 Ag2' 5_555 . . 95.0(3) yes Fe1 O2 Ag4' 5_555 . . 92.37(15) yes Fe1 O2 O1 5_555 . . 106.38(11) yes Fe1 O2 O3 5_555 . . 148.26(12) yes Fe1 O2 O3 5_555 . 6_555 45.59(7) yes Fe1 O2 O4 5_555 . . 142.41(12) yes Fe1 O2 O4 5_555 . 6_555 85.03(9) yes Fe1 O2 O5 5_555 . 5_555 45.75(7) yes Ag2' O2 Ag4' . . . 58.5(3) yes Ag2' O2 O1 . . . 110.1(3) yes Ag2' O2 O2 . . 2_655 82.5(4) yes Ag2' O2 O3 . . . 116.4(3) yes Ag2' O2 O3 . . 6_555 106.5(3) yes Ag2' O2 O4 . . . 63.4(3) yes Ag2' O2 O4 . . 6_555 152.1(3) yes Ag2' O2 O5 . . 5_555 52.1(3) yes Ag2' O2 O5 . . 6_555 136.1(4) yes Ag4' O2 O1 . . . 159.31(16) yes Ag4' O2 O2 . . 2_655 118.31(15) yes Ag4' O2 O3 . . . 107.60(16) yes Ag4' O2 O3 . . 6_555 64.36(13) yes Ag4' O2 O4 . . . 100.06(15) yes Ag4' O2 O4 . . 6_555 93.64(14) yes Ag4' O2 O5 . . 5_555 58.56(14) yes Ag4' O2 O5 . . 6_555 124.03(15) yes O1 O2 O2 . . 2_655 73.43(9) yes O1 O2 O3 . . . 59.95(9) yes O1 O2 O3 . . 6_555 135.70(12) yes O1 O2 O4 . . . 59.67(8) yes O1 O2 O4 . . 6_555 96.57(10) yes O1 O2 O5 . . 5_555 130.66(12) yes O1 O2 O5 . . 6_555 76.48(10) yes O2 O2 O3 2_655 . . 133.15(11) yes O2 O2 O3 2_655 . 6_555 87.60(9) yes O2 O2 O4 2_655 . . 102.08(10) yes O2 O2 O4 2_655 . 6_555 114.03(10) yes O2 O2 O5 2_655 . 5_555 59.79(8) yes O2 O2 O5 2_655 . 6_555 57.03(8) yes O3 O2 O3 . . 6_555 122.11(10) yes O3 O2 O4 . . . 59.15(8) yes O3 O2 O4 . . 6_555 69.67(8) yes O3 O2 O5 . . 5_555 164.62(12) yes O3 O2 O5 . . 6_555 104.53(10) yes O3 O2 O3 6_555 . . 122.11(10) yes O3 O2 O4 6_555 . . 164.35(12) yes O3 O2 O4 6_555 . 6_555 54.91(7) yes O3 O2 O5 6_555 . 5_555 60.43(8) yes O3 O2 O5 6_555 . 6_555 59.81(9) yes O4 O2 O4 . . 6_555 128.80(10) yes O4 O2 O5 . . 5_555 113.88(11) yes O4 O2 O5 . . 6_555 135.83(12) yes O4 O2 O4 6_555 . . 128.80(10) yes O4 O2 O5 6_555 . 5_555 115.32(11) yes O4 O2 O5 6_555 . 6_555 57.24(8) yes O5 O2 O5 5_555 . 6_555 89.79(10) yes O5 O2 O5 6_555 . 5_555 89.79(10) yes As1 O3 Fe1 . . . 126.32(13) yes As1 O3 Ag3 . . 5_445 109.34(12) yes As1 O3 Ag3 . . 6_545 130.49(14) yes As1 O3 Ag3' . . 5_445 110.8(3) yes As1 O3 Ag3' . . 6_545 132.8(3) yes As1 O3 Ag3'' . . 6_545 123.57(14) yes As1 O3 Ag4' . . 6_545 81.61(14) yes As1 O3 O2 . . 6_545 87.14(10) yes As1 O3 O3 . . 2_555 157.01(14) yes As1 O3 O5 . . . 99.20(11) yes As1 O3 O5 . . 2_555 134.11(13) yes Fe1 O3 Ag3 . . 5_445 88.11(9) yes Fe1 O3 Ag3 . . 6_545 100.13(10) yes Fe1 O3 Ag3' . . 5_445 94.9(2) yes Fe1 O3 Ag3' . . 6_545 100.6(2) yes Fe1 O3 Ag3'' . . 6_545 102.07(12) yes Fe1 O3 Ag4' . . 6_545 83.39(13) yes Fe1 O3 O1 . . . 117.17(11) yes Fe1 O3 O2 . . . 147.80(12) yes Fe1 O3 O3 . . 2_555 48.82(7) yes Fe1 O3 O4 . . . 91.17(9) yes Ag3 O3 Ag3 5_445 . 6_545 85.82(14) yes Ag3 O3 Ag3' 5_445 . 6_545 72.8(6) yes Ag3 O3 Ag3'' 5_445 . 6_545 98.25(14) yes Ag3 O3 Ag4' 5_445 . 6_545 168.83(15) yes Ag3 O3 O1 5_445 . . 141.90(12) yes Ag3 O3 O2 5_445 . . 82.49(10) yes Ag3 O3 O2 5_445 . 6_545 121.81(11) yes Ag3 O3 O3 5_445 . 2_555 52.24(9) yes Ag3 O3 O4 5_445 . . 93.83(11) yes Ag3 O3 O5 5_445 . . 62.67(9) yes Ag3 O3 O5 5_445 . 2_555 114.14(10) yes Ag3 O3 Ag3 6_545 . 5_445 85.82(14) yes Ag3 O3 Ag3' 6_545 . 5_445 77.2(5) yes Ag3 O3 Ag4' 6_545 . 6_545 88.56(16) yes Ag3 O3 O1 6_545 . . 114.45(14) yes Ag3 O3 O2 6_545 . . 109.74(11) yes Ag3 O3 O2 6_545 . 6_545 125.22(12) yes Ag3 O3 O3 6_545 . 2_555 67.17(12) yes Ag3 O3 O4 6_545 . . 168.67(12) yes Ag3 O3 O5 6_545 . . 128.55(13) yes Ag3 O3 O5 6_545 . 2_555 67.84(9) yes Ag3' O3 Ag3' 5_445 . 6_545 64.1(7) yes Ag3' O3 Ag3'' 5_445 . 6_545 89.4(5) yes Ag3' O3 Ag4' 5_445 . 6_545 165.2(4) yes Ag3' O3 O1 5_445 . . 141.4(2) yes Ag3' O3 O2 5_445 . . 80.7(2) yes Ag3' O3 O2 5_445 . 6_545 131.4(4) yes Ag3' O3 O3 5_445 . 2_555 53.95(19) yes Ag3' O3 O4 5_445 . . 101.2(4) yes Ag3' O3 O5 5_445 . . 72.7(4) yes Ag3' O3 O5 5_445 . 2_555 114.6(2) yes Ag3' O3 Ag3' 6_545 . 5_445 64.1(7) yes Ag3' O3 Ag4' 6_545 . 6_545 101.6(6) yes Ag3' O3 O1 6_545 . . 124.2(5) yes Ag3' O3 O2 6_545 . . 105.8(2) yes Ag3' O3 O2 6_545 . 6_545 133.4(3) yes Ag3' O3 O3 6_545 . 2_555 60.5(4) yes Ag3' O3 O4 6_545 . . 161.7(4) yes Ag3' O3 O5 6_545 . . 120.5(5) yes Ag3' O3 O5 6_545 . 2_555 75.6(3) yes Ag3'' O3 Ag4' 6_545 . 6_545 76.59(15) yes Ag3'' O3 O1 6_545 . . 103.10(12) yes Ag3'' O3 O2 6_545 . . 109.71(13) yes Ag3'' O3 O2 6_545 . 6_545 118.47(14) yes Ag3'' O3 O3 6_545 . 2_555 76.53(11) yes Ag3'' O3 O4 6_545 . . 162.30(13) yes Ag3'' O3 O5 6_545 . . 137.21(12) yes Ag3'' O3 O5 6_545 . 2_555 63.92(12) yes Ag4' O3 O1 6_545 . . 49.22(13) yes Ag4' O3 O2 6_545 . . 108.52(14) yes Ag4' O3 O2 6_545 . 6_545 54.92(12) yes Ag4' O3 O3 6_545 . 2_555 116.62(14) yes Ag4' O3 O4 6_545 . . 93.57(13) yes Ag4' O3 O5 6_545 . . 114.48(14) yes Ag4' O3 O5 6_545 . 2_555 54.71(13) yes O1 O3 O2 . . . 60.76(9) yes O1 O3 O2 . . 6_545 73.88(9) yes O1 O3 O3 . . 2_555 164.34(12) yes O1 O3 O4 . . . 59.93(8) yes O1 O3 O5 . . . 115.21(10) yes O1 O3 O5 . . 2_555 103.56(10) yes O2 O3 O2 . . 6_545 119.36(10) yes O2 O3 O3 . . 2_555 134.47(12) yes O2 O3 O4 . . . 59.06(8) yes O2 O3 O5 . . . 105.33(10) yes O2 O3 O5 . . 2_555 162.40(12) yes O2 O3 O2 6_545 . . 119.36(10) yes O2 O3 O3 6_545 . 2_555 92.37(10) yes O2 O3 O4 6_545 . . 64.26(8) yes O2 O3 O5 6_545 . . 59.68(9) yes O2 O3 O5 6_545 . 2_555 57.92(8) yes O3 O3 O4 2_555 . . 121.17(11) yes O3 O3 O5 2_555 . . 61.39(8) yes O3 O3 O5 2_555 . 2_555 61.90(8) yes O4 O3 O5 . . . 60.24(8) yes O4 O3 O5 . . 2_555 122.15(11) yes O5 O3 O5 . . 2_555 88.27(9) yes O5 O3 O5 2_555 . . 88.27(9) yes As1 O4 As2 . . . 118.87(12) yes As1 O4 Ag2' . . . 97.2(3) yes As1 O4 Ag3 . . 1_545 133.80(15) yes As1 O4 Ag3' . . 1_545 121.7(6) yes As1 O4 Ag3'' . . 1_545 145.43(13) yes As1 O4 O1 . . 2_655 94.58(10) yes As1 O4 O2 . . 6_545 82.96(9) yes As1 O4 O5 . . . 99.68(10) yes As1 O4 O6 . . . 97.65(11) yes As1 O4 O7 . . . 158.07(13) yes As2 O4 Ag2' . . . 83.6(3) yes As2 O4 Ag3 . . 1_545 107.19(14) yes As2 O4 Ag3' . . 1_545 119.4(6) yes As2 O4 Ag3'' . . 1_545 95.62(11) yes As2 O4 O1 . . . 149.82(12) yes As2 O4 O1 . . 2_655 125.52(10) yes As2 O4 O2 . . . 106.37(11) yes As2 O4 O2 . . 6_545 91.60(9) yes As2 O4 O3 . . . 88.19(9) yes Ag2' O4 Ag3 . . 1_545 84.0(3) yes Ag2' O4 Ag3' . . 1_545 86.2(5) yes Ag2' O4 Ag3'' . . 1_545 83.6(3) yes Ag2' O4 O1 . . . 110.0(3) yes Ag2' O4 O1 . . 2_655 48.3(3) yes Ag2' O4 O2 . . . 60.7(3) yes Ag2' O4 O2 . . 6_545 174.6(4) yes Ag2' O4 O3 . . . 116.4(3) yes Ag2' O4 O5 . . . 115.5(4) yes Ag2' O4 O6 . . . 57.0(4) yes Ag2' O4 O7 . . . 84.3(3) yes Ag3 O4 O1 1_545 . . 101.08(14) yes Ag3 O4 O1 1_545 . 2_655 52.63(8) yes Ag3 O4 O2 1_545 . . 127.17(11) yes Ag3 O4 O2 1_545 . 6_545 99.85(11) yes Ag3 O4 O3 1_545 . . 156.23(14) yes Ag3 O4 O5 1_545 . . 121.56(12) yes Ag3 O4 O6 1_545 . . 120.06(15) yes Ag3 O4 O7 1_545 . . 68.13(13) yes Ag3' O4 O1 1_545 . . 89.1(6) yes Ag3' O4 O1 1_545 . 2_655 47.31(19) yes Ag3' O4 O2 1_545 . . 119.5(3) yes Ag3' O4 O2 1_545 . 6_545 98.3(4) yes Ag3' O4 O3 1_545 . . 147.1(6) yes Ag3' O4 O5 1_545 . . 131.0(3) yes Ag3' O4 O6 1_545 . . 129.9(6) yes Ag3' O4 O7 1_545 . . 80.2(6) yes Ag3'' O4 O1 1_545 . . 112.20(12) yes Ag3'' O4 O1 1_545 . 2_655 60.26(11) yes Ag3'' O4 O2 1_545 . . 134.57(13) yes Ag3'' O4 O2 1_545 . 6_545 99.40(12) yes Ag3'' O4 O3 1_545 . . 160.03(14) yes Ag3'' O4 O5 1_545 . . 111.23(12) yes Ag3'' O4 O6 1_545 . . 111.08(12) yes Ag3'' O4 O7 1_545 . . 56.50(10) yes O1 O4 O1 . . 2_655 80.44(9) yes O1 O4 O2 . . . 62.26(9) yes O1 O4 O2 . . 6_545 73.12(9) yes O1 O4 O3 . . . 61.67(9) yes O1 O4 O5 . . . 119.02(10) yes O1 O4 O6 . . . 132.48(12) yes O1 O4 O7 . . . 161.64(12) yes O1 O4 O1 2_655 . . 80.44(9) yes O1 O4 O2 2_655 . . 74.70(9) yes O1 O4 O2 2_655 . 6_545 137.01(10) yes O1 O4 O3 2_655 . . 131.58(11) yes O1 O4 O5 2_655 . . 160.07(10) yes O1 O4 O6 2_655 . . 105.23(11) yes O1 O4 O7 2_655 . . 102.44(10) yes O2 O4 O2 . . 6_545 118.70(10) yes O2 O4 O3 . . . 61.79(8) yes O2 O4 O5 . . . 109.26(11) yes O2 O4 O6 . . . 73.71(10) yes O2 O4 O7 . . . 136.10(11) yes O2 O4 O2 6_545 . . 118.70(10) yes O2 O4 O3 6_545 . . 60.83(8) yes O2 O4 O5 6_545 . . 59.31(8) yes O2 O4 O6 6_545 . . 117.66(11) yes O2 O4 O7 6_545 . . 93.58(10) yes O3 O4 O5 . . . 62.73(8) yes O3 O4 O6 . . . 82.91(10) yes O3 O4 O7 . . . 123.18(11) yes O5 O4 O6 . . . 59.24(10) yes O5 O4 O7 . . . 60.67(9) yes O6 O4 O7 . . . 64.75(9) yes As2 O5 Fe1 . . . 125.67(13) yes As2 O5 Ag2 . . 5_445 104.1(2) yes As2 O5 Ag2' . . 5_445 110.2(4) yes As2 O5 Ag3 . . 5_445 84.18(12) yes As2 O5 Ag3'' . . 5_445 86.01(12) yes As2 O5 Ag4' . . 5_445 138.68(14) yes As2 O5 O2 . . 5_445 159.29(14) yes As2 O5 O2 . . 6_545 97.57(11) yes As2 O5 O3 . . . 84.64(10) yes As2 O5 O3 . . 2_555 129.83(14) yes Fe1 O5 Ag2 . . 5_445 112.1(2) yes Fe1 O5 Ag2' . . 5_445 107.7(4) yes Fe1 O5 Ag3 . . 5_445 86.36(13) yes Fe1 O5 Ag3'' . . 5_445 93.78(12) yes Fe1 O5 Ag4' . . 5_445 93.04(11) yes Fe1 O5 O2 . . 5_445 45.70(7) yes Fe1 O5 O3 . . . 46.01(7) yes Fe1 O5 O3 . . 2_555 46.30(7) yes Fe1 O5 O4 . . . 89.98(9) yes Fe1 O5 O6 . . . 125.63(13) yes Fe1 O5 O7 . . . 136.73(12) yes Ag2 O5 Ag3 5_445 . 5_445 147.0(2) yes Ag2 O5 Ag3'' 5_445 . 5_445 136.5(2) yes Ag2 O5 Ag4' 5_445 . 5_445 68.0(3) yes Ag2 O5 O2 5_445 . 5_445 70.9(2) yes Ag2 O5 O2 5_445 . 6_545 92.1(2) yes Ag2 O5 O3 5_445 . . 152.4(2) yes Ag2 O5 O3 5_445 . 2_555 125.2(2) yes Ag2 O5 O4 5_445 . . 116.4(2) yes Ag2 O5 O6 5_445 . . 121.5(2) yes Ag2 O5 O7 5_445 . . 69.3(2) yes Ag2' O5 Ag3 5_445 . 5_445 145.2(4) yes Ag2' O5 Ag3'' 5_445 . 5_445 134.9(4) yes Ag2' O5 Ag4' 5_445 . 5_445 63.4(4) yes Ag2' O5 O2 5_445 . 5_445 65.4(4) yes Ag2' O5 O2 5_445 . 6_545 91.4(4) yes Ag2' O5 O3 5_445 . . 150.4(4) yes Ag2' O5 O3 5_445 . 2_555 119.1(4) yes Ag2' O5 O4 5_445 . . 121.3(4) yes Ag2' O5 O6 5_445 . . 126.5(4) yes Ag2' O5 O7 5_445 . . 75.3(4) yes Ag3 O5 Ag4' 5_445 . 5_445 84.60(16) yes Ag3 O5 O2 5_445 . 5_445 111.14(11) yes Ag3 O5 O2 5_445 . 6_545 118.79(13) yes Ag3 O5 O3 5_445 . . 58.78(12) yes Ag3 O5 O3 5_445 . 2_555 49.89(10) yes Ag3 O5 O4 5_445 . . 89.55(11) yes Ag3 O5 O6 5_445 . . 52.99(11) yes Ag3 O5 O7 5_445 . . 116.28(12) yes Ag3'' O5 Ag4' 5_445 . 5_445 76.60(16) yes Ag3'' O5 O2 5_445 . 5_445 111.68(11) yes Ag3'' O5 O2 5_445 . 6_545 129.03(12) yes Ag3'' O5 O3 5_445 . . 69.36(11) yes Ag3'' O5 O3 5_445 . 2_555 52.95(9) yes Ag3'' O5 O4 5_445 . . 97.16(12) yes Ag3'' O5 O6 5_445 . . 52.75(11) yes Ag3'' O5 O7 5_445 . . 114.77(12) yes Ag4' O5 O2 5_445 . 5_445 59.40(11) yes Ag4' O5 O2 5_445 . 6_545 122.54(13) yes Ag4' O5 O3 5_445 . . 121.83(13) yes Ag4' O5 O3 5_445 . 2_555 65.13(12) yes Ag4' O5 O4 5_445 . . 173.23(17) yes Ag4' O5 O6 5_445 . . 113.84(15) yes Ag4' O5 O7 5_445 . . 123.73(13) yes O2 O5 O2 5_445 . 6_545 63.18(9) yes O2 O5 O3 5_445 . . 91.51(9) yes O2 O5 O3 5_445 . 2_555 61.66(8) yes O2 O5 O4 5_445 . . 126.33(11) yes O2 O5 O6 5_445 . . 164.13(13) yes O2 O5 O7 5_445 . . 132.57(13) yes O2 O5 O2 6_545 . 5_445 63.18(9) yes O2 O5 O3 6_545 . . 60.51(8) yes O2 O5 O3 6_545 . 2_555 90.09(9) yes O2 O5 O4 6_545 . . 63.45(8) yes O2 O5 O6 6_545 . . 122.11(12) yes O2 O5 O7 6_545 . . 93.56(10) yes O3 O5 O3 . . 2_555 56.71(8) yes O3 O5 O4 . . . 57.03(7) yes O3 O5 O6 . . . 80.20(10) yes O3 O5 O7 . . . 113.12(10) yes O3 O5 O3 2_555 . . 56.71(8) yes O3 O5 O4 2_555 . . 113.33(10) yes O3 O5 O6 2_555 . . 102.60(12) yes O3 O5 O7 2_555 . . 165.03(13) yes O4 O5 O6 . . . 59.62(10) yes O4 O5 O7 . . . 56.28(8) yes O6 O5 O7 . . . 63.29(9) yes As2 O6 Ag1 . . . 123.99(16) yes As2 O6 Ag1' . . . 125.9(3) yes As2 O6 Ag2 . . . 91.82(17) yes As2 O6 Ag2' . . . 92.7(3) yes As2 O6 Ag3 . . 5_445 99.63(15) yes As2 O6 Ag3' . . 5_445 98.7(3) yes As2 O6 Ag3'' . . 5_445 100.08(18) yes As2 O6 Ag4 . . . 149.9(2) yes As2 O6 Ag4' . . . 141.8(2) yes As2 O6 Ag4'' . . 5_455 152.16(19) yes Ag1 O6 Ag2 . . . 85.2(2) yes Ag1 O6 Ag2' . . . 88.5(3) yes Ag1 O6 Ag3 . . 5_445 119.96(18) yes Ag1 O6 Ag3' . . 5_445 126.7(4) yes Ag1 O6 Ag3'' . . 5_445 110.90(17) yes Ag1 O6 Ag4 . . . 82.49(18) yes Ag1 O6 Ag4' . . . 86.44(14) yes Ag1 O6 Ag4'' . . 5_455 79.71(13) yes Ag1 O6 O4 . . . 140.08(16) yes Ag1 O6 O5 . . . 129.09(15) yes Ag1 O6 O7 . . . 94.92(12) yes Ag1' O6 Ag2 . . . 86.5(3) yes Ag1' O6 Ag2' . . . 89.7(4) yes Ag1' O6 Ag3 . . 5_445 117.8(3) yes Ag1' O6 Ag3' . . 5_445 124.4(5) yes Ag1' O6 Ag3'' . . 5_445 108.9(3) yes Ag1' O6 Ag4 . . . 80.9(3) yes Ag1' O6 Ag4' . . . 85.2(3) yes Ag1' O6 Ag4'' . . 5_455 78.2(2) yes Ag1' O6 O4 . . . 142.3(3) yes Ag1' O6 O5 . . . 129.6(3) yes Ag1' O6 O7 . . . 97.0(2) yes Ag2 O6 Ag3 . . 5_445 136.7(2) yes Ag2 O6 Ag3' . . 5_445 127.4(4) yes Ag2 O6 Ag3'' . . 5_445 148.5(2) yes Ag2 O6 Ag4 . . . 75.0(3) yes Ag2 O6 Ag4' . . . 66.02(18) yes Ag2 O6 Ag4'' . . 5_455 74.52(19) yes Ag2 O6 O4 . . . 65.75(17) yes Ag2 O6 O5 . . . 124.86(17) yes Ag2 O6 O7 . . . 80.31(13) yes Ag2' O6 Ag3 . . 5_445 132.0(3) yes Ag2' O6 Ag3' . . 5_445 122.6(5) yes Ag2' O6 Ag3'' . . 5_445 143.9(3) yes Ag2' O6 Ag4 . . . 72.1(4) yes Ag2' O6 Ag4' . . . 62.8(3) yes Ag2' O6 Ag4'' . . 5_455 71.8(4) yes Ag2' O6 O4 . . . 64.5(3) yes Ag2' O6 O5 . . . 124.7(3) yes Ag2' O6 O7 . . . 83.3(3) yes Ag3 O6 Ag4 5_445 . . 74.4(2) yes Ag3 O6 Ag4' 5_445 . . 80.09(15) yes Ag3 O6 Ag4'' 5_445 . 5_455 76.30(16) yes Ag3 O6 O4 5_445 . . 99.86(14) yes Ag3 O6 O5 5_445 . . 68.26(11) yes Ag3 O6 O7 5_445 . . 126.46(13) yes Ag3' O6 Ag4 5_445 . . 70.4(3) yes Ag3' O6 Ag4' 5_445 . . 74.7(2) yes Ag3' O6 Ag4'' 5_445 . 5_455 72.6(2) yes Ag3' O6 O4 5_445 . . 93.2(4) yes Ag3' O6 O5 5_445 . . 70.3(2) yes Ag3' O6 O7 5_445 . . 127.7(3) yes Ag3'' O6 Ag4 5_445 . . 80.4(3) yes Ag3'' O6 Ag4' 5_445 . . 87.48(19) yes Ag3'' O6 Ag4'' 5_445 . 5_455 81.8(2) yes Ag3'' O6 O4 5_445 . . 107.92(14) yes Ag3'' O6 O5 5_445 . . 66.20(14) yes Ag3'' O6 O7 5_445 . . 122.89(17) yes Ag4 O6 O4 . . . 113.2(2) yes Ag4 O6 O5 . . . 139.8(2) yes Ag4 O6 O7 . . . 155.3(3) yes Ag4' O6 O4 . . . 104.35(16) yes Ag4' O6 O5 . . . 140.76(15) yes Ag4' O6 O7 . . . 146.1(2) yes Ag4'' O6 O4 5_455 . . 115.14(17) yes Ag4'' O6 O5 5_455 . . 142.34(17) yes Ag4'' O6 O7 5_455 . . 154.6(2) yes O4 O6 O5 . . . 61.13(9) yes O4 O6 O7 . . . 55.17(8) yes O5 O6 O7 . . . 58.20(9) yes As2 O7 Fe2 . . 1_545 130.45(13) yes As2 O7 Ag3 . . 1_545 97.79(12) yes As2 O7 Ag3'' . . 1_545 105.89(14) yes As2 O7 O8 . . 1_545 157.19(14) yes As2 O7 O9 . . 5_445 89.06(10) yes As2 O7 O13 . . 3_666 100.33(11) yes As2 O7 O14 . . 7_556 135.44(14) yes Fe2 O7 Ag3 1_545 . 1_545 116.16(14) yes Fe2 O7 Ag3'' 1_545 . 1_545 109.35(13) yes Fe2 O7 O4 1_545 . . 151.16(13) yes Fe2 O7 O5 1_545 . . 130.59(12) yes Fe2 O7 O6 1_545 . . 102.69(10) yes Fe2 O7 O8 1_545 . 1_545 45.58(7) yes Fe2 O7 O13 1_545 . 3_666 46.60(7) yes Fe2 O7 O14 1_545 . 7_556 47.45(6) yes Ag3 O7 O4 1_545 . . 56.09(10) yes Ag3 O7 O5 1_545 . . 113.10(12) yes Ag3 O7 O6 1_545 . . 106.68(11) yes Ag3 O7 O8 1_545 . 1_545 73.20(11) yes Ag3 O7 O9 1_545 . 5_445 149.69(12) yes Ag3 O7 O13 1_545 . 3_666 92.70(11) yes Ag3 O7 O14 1_545 . 7_556 123.57(11) yes Ag3'' O7 O4 1_545 . . 64.19(12) yes Ag3'' O7 O5 1_545 . . 120.06(12) yes Ag3'' O7 O6 1_545 . . 113.49(15) yes Ag3'' O7 O8 1_545 . 1_545 65.52(11) yes Ag3'' O7 O9 1_545 . 5_445 146.77(13) yes Ag3'' O7 O13 1_545 . 3_666 90.72(12) yes Ag3'' O7 O14 1_545 . 7_556 115.93(14) yes O4 O7 O5 . . . 63.05(8) yes O4 O7 O6 . . . 60.08(9) yes O4 O7 O8 . . 1_545 126.90(12) yes O4 O7 O9 . . 5_445 126.93(11) yes O4 O7 O13 . . 3_666 104.56(11) yes O4 O7 O14 . . 7_556 161.39(11) yes O5 O7 O6 . . . 58.51(10) yes O5 O7 O8 . . 1_545 167.30(12) yes O5 O7 O9 . . 5_445 89.34(10) yes O5 O7 O13 . . 3_666 128.33(11) yes O5 O7 O14 . . 7_556 105.57(11) yes O6 O7 O8 . . 1_545 131.73(11) yes O6 O7 O9 . . 5_445 66.86(9) yes O6 O7 O13 . . 3_666 71.75(9) yes O6 O7 O14 . . 7_556 128.55(12) yes O8 O7 O9 1_545 . 5_445 89.18(8) yes O8 O7 O13 1_545 . 3_666 60.17(8) yes O8 O7 O14 1_545 . 7_556 62.58(8) yes O9 O7 O13 5_445 . 3_666 56.99(7) yes O9 O7 O14 5_445 . 7_556 64.27(8) yes O13 O7 O14 3_666 . 7_556 94.05(9) yes As3 O8 Fe2 . . . 128.23(13) yes As3 O8 Ag1 . . 5_555 84.00(11) yes As3 O8 Ag1' . . 5_555 86.1(2) yes As3 O8 Ag3'' . . . 120.08(14) yes As3 O8 O7 . . 1_565 138.11(12) yes As3 O8 O12 . . . 97.14(10) yes As3 O8 O13 . . 3_676 155.54(13) yes As3 O8 O14 . . 7_566 89.58(10) yes Fe2 O8 Ag1 . . 5_555 131.61(13) yes Fe2 O8 Ag1' . . 5_555 132.1(2) yes Fe2 O8 Ag3'' . . . 96.64(11) yes Fe2 O8 O7 . . 1_565 45.08(6) yes Fe2 O8 O9 . . . 154.18(12) yes Fe2 O8 O10 . . . 116.73(10) yes Fe2 O8 O11 . . . 96.18(10) yes Fe2 O8 O13 . . 3_676 46.37(6) yes Ag1 O8 Ag3'' 5_555 . . 93.96(19) yes Ag1 O8 O7 5_555 . 1_565 133.83(15) yes Ag1 O8 O9 5_555 . . 49.72(8) yes Ag1 O8 O10 5_555 . . 108.57(10) yes Ag1 O8 O11 5_555 . . 92.58(16) yes Ag1 O8 O12 5_555 . . 105.29(18) yes Ag1 O8 O13 5_555 . 3_676 88.56(9) yes Ag1 O8 O14 5_555 . 7_566 163.7(2) yes Ag1' O8 Ag3'' 5_555 . . 90.2(4) yes Ag1' O8 O7 5_555 . 1_565 130.8(3) yes Ag1' O8 O9 5_555 . . 51.40(19) yes Ag1' O8 O10 5_555 . . 109.31(19) yes Ag1' O8 O11 5_555 . . 96.1(3) yes Ag1' O8 O12 5_555 . . 108.2(4) yes Ag1' O8 O13 5_555 . 3_676 87.93(19) yes Ag1' O8 O14 5_555 . 7_566 167.4(4) yes Ag3'' O8 O7 . . 1_565 53.00(10) yes Ag3'' O8 O9 . . . 109.15(12) yes Ag3'' O8 O10 . . . 96.85(12) yes Ag3'' O8 O11 . . . 156.00(13) yes Ag3'' O8 O12 . . . 139.79(12) yes Ag3'' O8 O13 . . 3_676 83.59(12) yes Ag3'' O8 O14 . . 7_566 102.18(10) yes O7 O8 O9 1_565 . . 158.67(11) yes O7 O8 O10 1_565 . . 106.83(10) yes O7 O8 O11 1_565 . . 131.27(11) yes O7 O8 O12 1_565 . . 89.64(9) yes O7 O8 O13 1_565 . 3_676 59.80(8) yes O7 O8 O14 1_565 . 7_566 58.23(8) yes O9 O8 O10 . . . 60.14(8) yes O9 O8 O11 . . . 59.36(8) yes O9 O8 O12 . . . 110.23(10) yes O9 O8 O13 . . 3_676 135.99(10) yes O9 O8 O14 . . 7_566 124.49(10) yes O10 O8 O11 . . . 59.21(8) yes O10 O8 O12 . . . 109.39(10) yes O10 O8 O13 . . 3_676 162.74(11) yes O10 O8 O14 . . 7_566 71.79(8) yes O11 O8 O12 . . . 59.23(8) yes O11 O8 O13 . . 3_676 119.67(10) yes O11 O8 O14 . . 7_566 73.45(8) yes O12 O8 O13 . . 3_676 62.44(8) yes O12 O8 O14 . . 7_566 60.62(7) yes O13 O8 O14 3_676 . 7_566 91.21(9) yes As3 O9 Fe2 . . 5_545 140.86(13) yes As3 O9 Ag1 . . 5_555 103.00(14) yes As3 O9 Ag1 . . 3_666 105.51(13) yes As3 O9 Ag1' . . 5_555 100.3(3) yes As3 O9 O7 . . 5_555 112.07(12) yes As3 O9 O12 . . 5_545 136.87(13) yes As3 O9 O13 . . 7_666 158.14(14) yes Fe2 O9 Ag1 5_545 . 5_555 109.96(14) yes Fe2 O9 Ag1 5_545 . 3_666 95.16(11) yes Fe2 O9 Ag1' 5_545 . 5_555 110.8(3) yes Fe2 O9 O8 5_545 . . 152.28(13) yes Fe2 O9 O10 5_545 . . 107.80(10) yes Fe2 O9 O11 5_545 . . 139.32(11) yes Fe2 O9 O12 5_545 . 5_545 47.04(6) yes Fe2 O9 O13 5_545 . 7_666 47.70(7) yes Ag1 O9 Ag1 5_555 . 3_666 90.1(2) yes Ag1 O9 O7 5_555 . 5_555 100.1(2) yes Ag1 O9 O8 5_555 . . 68.92(12) yes Ag1 O9 O10 5_555 . . 128.03(16) yes Ag1 O9 O11 5_555 . . 106.47(17) yes Ag1 O9 O12 5_555 . 5_545 109.57(17) yes Ag1 O9 O13 5_555 . 7_666 62.42(12) yes Ag1 O9 Ag1 3_666 . 5_555 90.1(2) yes Ag1 O9 Ag1' 3_666 . 5_555 95.0(4) yes Ag1 O9 O7 3_666 . 5_555 137.42(12) yes Ag1 O9 O8 3_666 . . 112.42(12) yes Ag1 O9 O10 3_666 . . 120.59(12) yes Ag1 O9 O11 3_666 . . 67.09(11) yes Ag1 O9 O12 3_666 . 5_545 48.49(9) yes Ag1 O9 O13 3_666 . 7_666 91.35(11) yes Ag1' O9 O7 5_555 . 5_555 97.2(4) yes Ag1' O9 O8 5_555 . . 65.7(3) yes Ag1' O9 O10 5_555 . . 123.7(3) yes Ag1' O9 O11 5_555 . . 107.2(3) yes Ag1' O9 O12 5_555 . 5_545 114.0(3) yes Ag1' O9 O13 5_555 . 7_666 63.8(3) yes O7 O9 O8 5_555 . . 109.80(10) yes O7 O9 O10 5_555 . . 84.81(9) yes O7 O9 O11 5_555 . . 144.06(11) yes O7 O9 O12 5_555 . 5_545 89.52(9) yes O7 O9 O13 5_555 . 7_666 59.00(8) yes O8 O9 O10 . . . 61.04(8) yes O8 O9 O11 . . . 60.25(8) yes O8 O9 O12 . . 5_545 160.67(12) yes O8 O9 O13 . . 7_666 125.40(11) yes O10 O9 O11 . . . 59.80(8) yes O10 O9 O12 . . 5_545 122.26(10) yes O10 O9 O13 . . 7_666 143.68(12) yes O11 O9 O12 . . 5_545 103.57(10) yes O11 O9 O13 . . 7_666 156.48(12) yes O12 O9 O13 5_545 . 7_666 64.95(8) yes As3 O10 Ag1 . . . 115.3(2) yes As3 O10 Ag1' . . . 119.1(4) yes As3 O10 Ag2 . . . 130.6(3) yes As3 O10 Ag2' . . . 134.4(4) yes As3 O10 Ag4 . . . 117.9(2) yes As3 O10 Ag4' . . . 119.54(19) yes As3 O10 Ag4'' . . 5_455 107.4(3) yes Ag1 O10 Ag2 . . . 104.4(2) yes Ag1 O10 Ag2' . . . 104.4(4) yes Ag1 O10 Ag4 . . . 92.4(3) yes Ag1 O10 Ag4' . . . 100.3(2) yes Ag1 O10 Ag4'' . . 5_455 98.3(3) yes Ag1 O10 O8 . . . 123.32(16) yes Ag1 O10 O9 . . . 127.0(2) yes Ag1 O10 O11 . . . 77.7(2) yes Ag1' O10 Ag2 . . . 102.8(4) yes Ag1' O10 Ag2' . . . 102.2(5) yes Ag1' O10 Ag4 . . . 87.3(4) yes Ag1' O10 Ag4' . . . 95.0(4) yes Ag1' O10 Ag4'' . . 5_455 93.5(4) yes Ag1' O10 O8 . . . 124.1(3) yes Ag1' O10 O9 . . . 132.2(4) yes Ag1' O10 O11 . . . 81.7(4) yes Ag2 O10 Ag4 . . . 87.2(3) yes Ag2 O10 Ag4' . . . 78.4(3) yes Ag2 O10 Ag4'' . . 5_455 94.3(3) yes Ag2 O10 O8 . . . 131.9(2) yes Ag2 O10 O9 . . . 98.5(2) yes Ag2 O10 O11 . . . 147.7(2) yes Ag2' O10 Ag4 . . . 80.2(4) yes Ag2' O10 Ag4' . . . 71.4(4) yes Ag2' O10 Ag4'' . . 5_455 87.3(4) yes Ag2' O10 O8 . . . 130.6(4) yes Ag2' O10 O9 . . . 103.6(4) yes Ag2' O10 O11 . . . 154.7(4) yes Ag4 O10 O8 . . . 85.3(2) yes Ag4 O10 O9 . . . 136.3(2) yes Ag4 O10 O11 . . . 125.1(2) yes Ag4' O10 O8 . . . 86.96(17) yes Ag4' O10 O9 . . . 131.13(18) yes Ag4' O10 O11 . . . 133.58(18) yes Ag4'' O10 O8 5_455 . . 74.7(3) yes Ag4'' O10 O9 5_455 . . 127.1(3) yes Ag4'' O10 O11 5_455 . . 117.6(2) yes O8 O10 O9 . . . 58.82(8) yes O8 O10 O11 . . . 59.19(8) yes O9 O10 O11 . . . 58.90(8) yes As3 O11 As4 . . . 128.43(12) yes As3 O11 O11 . . 3_666 87.30(9) yes As3 O11 O12 . . . 98.76(10) yes As3 O11 O13 . . . 118.37(11) yes As3 O11 O14 . . . 158.70(12) yes As4 O11 O8 . . . 93.72(10) yes As4 O11 O9 . . . 124.58(12) yes As4 O11 O10 . . . 149.18(12) yes As4 O11 O11 . . 3_666 138.89(11) yes O8 O11 O9 . . . 60.39(8) yes O8 O11 O10 . . . 61.60(8) yes O8 O11 O11 . . 3_666 123.16(10) yes O8 O11 O12 . . . 62.83(8) yes O8 O11 O13 . . . 96.71(9) yes O8 O11 O14 . . . 123.80(10) yes O9 O11 O10 . . . 61.30(8) yes O9 O11 O11 . . 3_666 69.97(9) yes O9 O11 O12 . . . 114.15(10) yes O9 O11 O13 . . . 95.69(10) yes O9 O11 O14 . . . 155.46(11) yes O10 O11 O11 . . 3_666 71.62(8) yes O10 O11 O12 . . . 114.36(10) yes O10 O11 O13 . . . 153.58(11) yes O10 O11 O14 . . . 143.23(11) yes O11 O11 O12 3_666 . . 173.72(10) yes O11 O11 O13 3_666 . . 114.71(10) yes O11 O11 O14 3_666 . . 112.93(10) yes O12 O11 O13 . . . 60.93(7) yes O12 O11 O14 . . . 61.27(8) yes O13 O11 O14 . . . 60.45(8) yes As4 O12 Fe2 . . . 130.98(12) yes As4 O12 Ag1 . . 7_566 110.4(2) yes As4 O12 Ag1' . . 7_566 105.7(3) yes As4 O12 O8 . . . 90.59(9) yes As4 O12 O9 . . 5_455 164.70(12) yes As4 O12 O13 . . 3_676 134.87(11) yes As4 O12 O14 . . 7_566 103.35(10) yes Fe2 O12 Ag1 . . 7_566 117.8(2) yes Fe2 O12 Ag1' . . 7_566 122.7(4) yes Fe2 O12 O9 . . 5_455 47.31(7) yes Fe2 O12 O11 . . . 94.44(9) yes Fe2 O12 O13 . . . 135.12(11) yes Fe2 O12 O14 . . . 139.46(10) yes Ag1 O12 O8 7_566 . . 157.37(19) yes Ag1 O12 O9 7_566 . 5_455 71.06(19) yes Ag1 O12 O11 7_566 . . 144.63(19) yes Ag1 O12 O13 7_566 . . 100.66(18) yes Ag1 O12 O13 7_566 . 3_676 100.37(17) yes Ag1 O12 O14 7_566 . . 87.05(17) yes Ag1 O12 O14 7_566 . 7_566 119.93(16) yes Ag1' O12 O8 7_566 . . 160.8(3) yes Ag1' O12 O9 7_566 . 5_455 76.0(4) yes Ag1' O12 O11 7_566 . . 140.6(3) yes Ag1' O12 O13 7_566 . . 95.8(3) yes Ag1' O12 O13 7_566 . 3_676 103.3(3) yes Ag1' O12 O14 7_566 . . 83.5(3) yes Ag1' O12 O14 7_566 . 7_566 123.7(3) yes O8 O12 O9 . . 5_455 90.95(9) yes O8 O12 O11 . . . 57.94(7) yes O8 O12 O13 . . . 92.50(9) yes O8 O12 O13 . . 3_676 57.46(7) yes O8 O12 O14 . . . 115.57(9) yes O8 O12 O14 . . 7_566 59.86(7) yes O9 O12 O11 5_455 . . 136.04(10) yes O9 O12 O13 5_455 . . 162.03(11) yes O9 O12 O13 5_455 . 3_676 57.11(7) yes O9 O12 O14 5_455 . . 134.24(10) yes O9 O12 O14 5_455 . 7_566 64.61(8) yes O11 O12 O13 . . . 59.05(8) yes O11 O12 O13 . . 3_676 113.62(9) yes O11 O12 O14 . . . 57.88(7) yes O11 O12 O14 . . 7_566 72.56(8) yes O13 O12 O13 . . 3_676 110.85(9) yes O13 O12 O14 . . . 58.70(7) yes O13 O12 O14 . . 7_566 131.61(10) yes O13 O12 O13 3_676 . . 110.85(9) yes O13 O12 O14 3_676 . . 168.49(10) yes O13 O12 O14 3_676 . 7_566 87.94(8) yes O14 O12 O14 . . 7_566 96.01(9) yes O14 O12 O14 7_566 . . 96.01(9) yes As4 O13 Fe2 . . 3_676 133.78(13) yes As4 O13 Ag1 . . 3_666 107.79(16) yes As4 O13 Ag1' . . 3_666 110.8(3) yes As4 O13 Ag2 . . 3_666 91.4(2) yes As4 O13 O7 . . 3_666 153.93(13) yes As4 O13 O8 . . 3_676 100.48(10) yes As4 O13 O9 . . 7_666 139.03(13) yes As4 O13 O12 . . 3_676 96.40(10) yes Fe2 O13 Ag1 3_676 . 3_666 100.14(11) yes Fe2 O13 Ag1' 3_676 . 3_666 99.6(2) yes Fe2 O13 Ag2 3_676 . 3_666 127.49(18) yes Fe2 O13 O7 3_676 . 3_666 45.19(6) yes Fe2 O13 O8 3_676 . 3_676 45.47(6) yes Fe2 O13 O9 3_676 . 7_666 47.78(7) yes Fe2 O13 O11 3_676 . . 134.65(12) yes Fe2 O13 O12 3_676 . . 100.92(10) yes Fe2 O13 O14 3_676 . . 150.53(11) yes Ag1 O13 Ag2 3_666 . 3_666 85.4(2) yes Ag1 O13 O7 3_666 . 3_666 96.96(16) yes Ag1 O13 O8 3_666 . 3_676 145.61(12) yes Ag1 O13 O9 3_666 . 7_666 52.50(10) yes Ag1 O13 O11 3_666 . . 71.43(16) yes Ag1 O13 O12 3_666 . . 128.0(2) yes Ag1 O13 O12 3_666 . 3_676 96.97(17) yes Ag1 O13 O14 3_666 . . 109.33(12) yes Ag1' O13 Ag2 3_666 . 3_666 82.2(4) yes Ag1' O13 O7 3_666 . 3_666 93.5(3) yes Ag1' O13 O8 3_666 . 3_676 144.8(2) yes Ag1' O13 O9 3_666 . 7_666 52.4(2) yes Ag1' O13 O11 3_666 . . 75.0(3) yes Ag1' O13 O12 3_666 . . 132.3(4) yes Ag1' O13 O12 3_666 . 3_676 99.6(3) yes Ag1' O13 O14 3_666 . . 109.8(2) yes Ag2 O13 O7 3_666 . 3_666 82.32(18) yes Ag2 O13 O8 3_666 . 3_676 113.53(15) yes Ag2 O13 O9 3_666 . 7_666 118.1(2) yes Ag2 O13 O11 3_666 . . 96.87(16) yes Ag2 O13 O12 3_666 . . 116.3(2) yes Ag2 O13 O12 3_666 . 3_676 170.70(18) yes Ag2 O13 O14 3_666 . . 57.4(2) yes O7 O13 O8 3_666 . 3_676 60.03(8) yes O7 O13 O9 3_666 . 7_666 64.01(8) yes O7 O13 O11 3_666 . . 168.37(11) yes O7 O13 O12 3_666 . . 130.66(11) yes O7 O13 O12 3_666 . 3_676 88.46(9) yes O7 O13 O14 3_666 . . 128.28(11) yes O8 O13 O9 3_676 . 7_666 93.20(9) yes O8 O13 O11 3_676 . . 129.88(10) yes O8 O13 O12 3_676 . . 70.76(8) yes O8 O13 O12 3_676 . 3_676 60.11(8) yes O8 O13 O14 3_676 . . 105.07(9) yes O9 O13 O11 7_666 . . 106.85(10) yes O9 O13 O12 7_666 . . 125.16(11) yes O9 O13 O12 7_666 . 3_676 57.94(8) yes O9 O13 O14 7_666 . . 161.46(11) yes O11 O13 O12 . . . 60.02(8) yes O11 O13 O12 . . 3_676 92.40(9) yes O11 O13 O14 . . . 58.75(8) yes O12 O13 O12 . . 3_676 69.15(8) yes O12 O13 O14 . . . 60.39(7) yes O12 O13 O12 3_676 . . 69.15(8) yes O12 O13 O14 3_676 . . 129.27(10) yes As4 O14 Fe2 . . 7_566 133.15(12) yes As4 O14 Ag2 . . 3_666 97.6(2) yes As4 O14 Ag2' . . 3_666 97.3(3) yes As4 O14 Ag4 . . 7_566 118.1(2) yes As4 O14 Ag4'' . . 3_666 125.5(2) yes As4 O14 O7 . . 7_556 157.36(13) yes As4 O14 O8 . . 7_566 139.76(11) yes As4 O14 O12 . . 7_566 93.26(9) yes Fe2 O14 Ag2 7_566 . 3_666 107.55(15) yes Fe2 O14 Ag2' 7_566 . 3_666 106.7(3) yes Fe2 O14 Ag4 7_566 . 7_566 107.1(2) yes Fe2 O14 Ag4'' 7_566 . 3_666 99.9(2) yes Fe2 O14 O7 7_566 . 7_556 45.59(6) yes Fe2 O14 O11 7_566 . . 96.00(9) yes Fe2 O14 O12 7_566 . . 127.09(10) yes Fe2 O14 O13 7_566 . . 149.83(11) yes Ag2 O14 Ag4 3_666 . 7_566 72.0(2) yes Ag2 O14 Ag4'' 3_666 . 3_666 72.2(2) yes Ag2 O14 O7 3_666 . 7_556 67.52(19) yes Ag2 O14 O8 3_666 . 7_566 122.3(2) yes Ag2 O14 O11 3_666 . . 102.6(2) yes Ag2 O14 O12 3_666 . . 123.06(18) yes Ag2 O14 O12 3_666 . 7_566 142.07(13) yes Ag2 O14 O13 3_666 . . 63.9(2) yes Ag2' O14 Ag4 3_666 . 7_566 73.6(4) yes Ag2' O14 Ag4'' 3_666 . 3_666 73.7(4) yes Ag2' O14 O7 3_666 . 7_556 67.3(3) yes Ag2' O14 O8 3_666 . 7_566 122.7(3) yes Ag2' O14 O11 3_666 . . 101.4(3) yes Ag2' O14 O12 3_666 . . 123.4(3) yes Ag2' O14 O12 3_666 . 7_566 140.6(3) yes Ag2' O14 O13 3_666 . . 63.8(3) yes Ag4 O14 O7 7_566 . 7_556 74.77(17) yes Ag4 O14 O8 7_566 . 7_566 74.2(2) yes Ag4 O14 O11 7_566 . . 156.8(2) yes Ag4 O14 O12 7_566 . . 102.39(16) yes Ag4 O14 O12 7_566 . 7_566 132.4(2) yes Ag4 O14 O13 7_566 . . 97.7(2) yes Ag4'' O14 O7 3_666 . 7_556 67.8(2) yes Ag4'' O14 O8 3_666 . 7_566 68.76(18) yes Ag4'' O14 O11 3_666 . . 164.1(2) yes Ag4'' O14 O12 3_666 . . 108.7(2) yes Ag4'' O14 O12 3_666 . 7_566 127.96(18) yes Ag4'' O14 O13 3_666 . . 104.1(2) yes O7 O14 O8 7_556 . 7_566 59.18(8) yes O7 O14 O11 7_556 . . 124.96(10) yes O7 O14 O12 7_556 . . 168.11(11) yes O7 O14 O12 7_556 . 7_566 89.54(9) yes O7 O14 O13 7_556 . . 130.63(10) yes O8 O14 O11 7_566 . . 124.75(10) yes O8 O14 O12 7_566 . . 108.93(9) yes O8 O14 O12 7_566 . 7_566 59.52(7) yes O8 O14 O13 7_566 . . 165.91(11) yes O11 O14 O12 . . . 60.85(8) yes O11 O14 O12 . . 7_566 65.32(8) yes O11 O14 O13 . . . 60.80(8) yes O12 O14 O12 . . 7_566 83.99(8) yes O12 O14 O13 . . . 60.90(8) yes O12 O14 O12 7_566 . . 83.99(8) yes O12 O14 O13 7_566 . . 124.92(10) yes