 
data_AgMnI3O9 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Ag I3 Mn O9' 
_chemical_formula_weight          687.51 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'I'  'I'  -0.4742   1.8119 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Mn'  'Mn'   0.3368   0.7283 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'triclinic' 
_symmetry_space_group_name_H-M    'P-1'  
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    8.0170(6) 
_cell_length_b                    10.1567(3) 
_cell_length_c                    11.0657(11) 
_cell_angle_alpha                 78.156(11) 
_cell_angle_beta                  89.947(15) 
_cell_angle_gamma                 77.156(13) 
_cell_volume                      858.85(11) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     2608 
_cell_measurement_theta_min       2.1037 
_cell_measurement_theta_max       27.5243  
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.25 
_exptl_crystal_size_mid           0.03 
_exptl_crystal_size_min           0.01 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     5.317 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1212 
_exptl_absorpt_coefficient_mu     14.560 
_exptl_absorpt_correction_type    'Multi-scan' 
_exptl_absorpt_correction_T_min   0.7901 
_exptl_absorpt_correction_T_max   1.0000  
_exptl_absorpt_process_details    
;
CrystalClear Version 1.3.5. Rigaku Corp., Woodlands, TX, 1999
; 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   'Confocal'
_diffrn_radiation_detector        'CCD' 
_diffrn_measurement_device_type   
;
Saturn724+ (2x2 bin mode)
; 
_diffrn_measurement_method        'CCD_Profile_fitting' 
_diffrn_detector_area_resol_mean  28.5714 
_diffrn_reflns_number             10495 
_diffrn_reflns_av_R_equivalents   0.0389 
_diffrn_reflns_av_sigmaI/netI     0.0468 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -14 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          2.51 
_diffrn_reflns_theta_max          27.48 
_reflns_number_total              3895 
_reflns_number_gt                 3268 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0308P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    none 
_refine_ls_hydrogen_treatment     none 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3895 
_refine_ls_number_parameters      253 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0400 
_refine_ls_R_factor_gt            0.0344 
_refine_ls_wR_factor_ref          0.0765 
_refine_ls_wR_factor_gt           0.0749 
_refine_ls_goodness_of_fit_ref    1.117 
_refine_ls_restrained_S_all       1.117 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ag1 Ag 0.36711(9) -0.09689(7) 0.65477(6) 0.02770(17) Uani 1 1 d . . . 
Ag2 Ag 0.10969(10) 0.10074(7) 0.84261(6) 0.03237(18) Uani 1 1 d . . . 
Mn1 Mn 0.39135(13) -0.11813(11) 1.18002(9) 0.0100(2) Uani 1 1 d . . . 
Mn2 Mn 0.10756(13) 0.11802(11) 1.31983(9) 0.0098(2) Uani 1 1 d . . . 
I1 I 0.29104(6) 0.24810(4) 1.03953(4) 0.00917(11) Uani 1 1 d . . . 
I2 I 0.20660(6) -0.25001(4) 0.93163(4) 0.00985(11) Uani 1 1 d . . . 
I3 I -0.16076(6) 0.24965(4) 0.56425(4) 0.00912(11) Uani 1 1 d . . . 
I4 I 0.65526(6) -0.24632(4) 0.45634(4) 0.01026(11) Uani 1 1 d . . . 
I5 I 0.01288(6) 0.49348(4) 1.27224(4) 0.01019(11) Uani 1 1 d . . . 
I6 I 0.50446(6) -0.49376(4) 1.22820(4) 0.01025(11) Uani 1 1 d . . . 
O1 O 0.2938(6) 0.1023(5) 1.1690(4) 0.0126(10) Uani 1 1 d . . . 
O2 O 0.0825(6) 0.2623(5) 0.9668(4) 0.0151(11) Uani 1 1 d . . . 
O3 O 0.4059(7) 0.1458(5) 0.9378(4) 0.0193(12) Uani 1 1 d . . . 
O4 O 0.4154(6) -0.2612(5) 0.8619(4) 0.0160(11) Uani 1 1 d . . . 
O5 O 0.0963(6) -0.1104(5) 0.8061(4) 0.0154(11) Uani 1 1 d . . . 
O6 O 0.2180(6) -0.1391(5) 1.0377(4) 0.0173(11) Uani 1 1 d . . . 
O7 O -0.1924(6) 0.1022(5) 0.6814(4) 0.0136(10) Uani 1 1 d . . . 
O8 O 0.0408(6) 0.2586(5) 0.6381(4) 0.0162(11) Uani 1 1 d . . . 
O9 O -0.0888(6) 0.1501(5) 0.4495(4) 0.0162(11) Uani 1 1 d . . . 
O10 O 0.5804(6) -0.1096(5) 0.3204(4) 0.0139(11) Uani 1 1 d . . . 
O11 O 0.4547(6) -0.2591(5) 0.5323(4) 0.0159(11) Uani 1 1 d . . . 
O12 O 0.7129(6) -0.1333(5) 0.5471(5) 0.0186(12) Uani 1 1 d . . . 
O13 O 0.2110(7) 0.4616(5) 1.3640(5) 0.0189(12) Uani 1 1 d . . . 
O14 O 0.0579(6) 0.3348(5) 1.2131(4) 0.0151(11) Uani 1 1 d . . . 
O15 O -0.1372(7) 0.4543(6) 1.3883(5) 0.0205(12) Uani 1 1 d . . . 
O16 O 0.6848(7) -0.4635(5) 1.1367(4) 0.0186(12) Uani 1 1 d . . . 
O17 O 0.4553(6) -0.3360(5) 1.2868(4) 0.0166(11) Uani 1 1 d . . . 
O18 O 0.3318(6) -0.4525(6) 1.1131(4) 0.0203(12) Uani 1 1 d . . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ag1 O10 2.298(5) 2_656 ? 
Ag1 O11 2.333(5) . ? 
Ag1 O4 2.516(5) . ? 
Ag1 O9 2.720(5) 2_556 ? 
Ag1 O5 2.751(5) . ? 
Ag1 I4 3.4144(8) 2_656 ? 
Ag1 Ag2 3.5316(11) . ? 
Ag2 O5 2.287(5) . ? 
Ag2 O2 2.322(5) . ? 
Ag2 O8 2.474(5) . ? 
Ag2 O3 2.765(5) . ? 
Ag2 I1 3.3784(8) . ? 
Ag2 I2 3.4052(8) . ? 
Mn1 O3 2.089(5) 2_657 ? 
Mn1 O6 2.175(4) . ? 
Mn1 O1 2.179(5) . ? 
Mn1 O10 2.199(4) 1_556 ? 
Mn1 O7 2.214(5) 2_557 ? 
Mn1 O17 2.232(5) . ? 
Mn2 O12 2.113(5) 2_657 ? 
Mn2 O9 2.145(5) 1_556 ? 
Mn2 O5 2.173(5) 2_557 ? 
Mn2 O7 2.192(5) 2_557 ? 
Mn2 O14 2.224(5) . ? 
Mn2 O1 2.245(5) . ? 
I1 O3 1.801(5) . ? 
I1 O2 1.819(4) . ? 
I1 O1 1.833(5) . ? 
I2 O6 1.801(5) . ? 
I2 O5 1.833(5) . ? 
I2 O4 1.833(5) . ? 
I3 O9 1.798(5) . ? 
I3 O7 1.833(5) . ? 
I3 O8 1.840(4) . ? 
I3 O11 2.562(5) 2_556 ? 
I4 O12 1.802(5) . ? 
I4 O10 1.823(5) . ? 
I4 O11 1.831(5) . ? 
I4 Ag1 3.4145(8) 2_656 ? 
I5 O15 1.804(5) . ? 
I5 O13 1.816(5) . ? 
I5 O14 1.824(5) . ? 
I6 O18 1.800(5) . ? 
I6 O16 1.810(5) . ? 
I6 O17 1.813(5) . ? 
O3 Mn1 2.090(5) 2_657 ? 
O5 Mn2 2.173(5) 2_557 ? 
O7 Mn2 2.192(5) 2_557 ? 
O7 Mn1 2.214(5) 2_557 ? 
O9 Mn2 2.145(5) 1_554 ? 
O9 Ag1 2.720(5) 2_556 ? 
O10 Mn1 2.199(4) 1_554 ? 
O10 Ag1 2.298(5) 2_656 ? 
O11 I3 2.562(5) 2_556 ? 
O12 Mn2 2.113(5) 2_657 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O10 Ag1 O11 138.80(17) 2_656 . ? 
O10 Ag1 O4 108.02(16) 2_656 . ? 
O11 Ag1 O4 97.82(17) . . ? 
O10 Ag1 O9 129.89(17) 2_656 2_556 ? 
O11 Ag1 O9 70.08(15) . 2_556 ? 
O4 Ag1 O9 104.29(15) . 2_556 ? 
O10 Ag1 O5 99.60(16) 2_656 . ? 
O11 Ag1 O5 121.13(15) . . ? 
O4 Ag1 O5 60.79(15) . . ? 
O9 Ag1 O5 65.01(14) 2_556 . ? 
O10 Ag1 I4 29.82(11) 2_656 2_656 ? 
O11 Ag1 I4 121.36(13) . 2_656 ? 
O4 Ag1 I4 136.94(11) . 2_656 ? 
O9 Ag1 I4 105.35(11) 2_556 2_656 ? 
O5 Ag1 I4 106.01(11) . 2_656 ? 
O10 Ag1 Ag2 59.28(12) 2_656 . ? 
O11 Ag1 Ag2 160.37(12) . . ? 
O4 Ag1 Ag2 78.42(12) . . ? 
O9 Ag1 Ag2 91.99(10) 2_556 . ? 
O5 Ag1 Ag2 40.35(10) . . ? 
I4 Ag1 Ag2 70.05(2) 2_656 . ? 
O5 Ag2 O2 152.86(18) . . ? 
O5 Ag2 O8 104.08(16) . . ? 
O2 Ag2 O8 99.50(17) . . ? 
O5 Ag2 O3 121.54(17) . . ? 
O2 Ag2 O3 62.01(15) . . ? 
O8 Ag2 O3 107.38(15) . . ? 
O5 Ag2 I1 141.64(12) . . ? 
O2 Ag2 I1 30.67(11) . . ? 
O8 Ag2 I1 110.91(11) . . ? 
O3 Ag2 I1 32.17(10) . . ? 
O5 Ag2 I2 30.16(12) . . ? 
O2 Ag2 I2 128.08(12) . . ? 
O8 Ag2 I2 132.40(12) . . ? 
O3 Ag2 I2 97.48(11) . . ? 
I1 Ag2 I2 111.61(2) . . ? 
O5 Ag2 Ag1 51.14(13) . . ? 
O2 Ag2 Ag1 148.75(12) . . ? 
O8 Ag2 Ag1 79.62(12) . . ? 
O3 Ag2 Ag1 88.18(11) . . ? 
I1 Ag2 Ag1 120.36(3) . . ? 
I2 Ag2 Ag1 60.94(2) . . ? 
O3 Mn1 O6 89.8(2) 2_657 . ? 
O3 Mn1 O1 108.9(2) 2_657 . ? 
O6 Mn1 O1 96.90(19) . . ? 
O3 Mn1 O10 87.05(19) 2_657 1_556 ? 
O6 Mn1 O10 175.79(19) . 1_556 ? 
O1 Mn1 O10 86.78(18) . 1_556 ? 
O3 Mn1 O7 174.71(19) 2_657 2_557 ? 
O6 Mn1 O7 93.90(18) . 2_557 ? 
O1 Mn1 O7 74.37(18) . 2_557 ? 
O10 Mn1 O7 89.04(18) 1_556 2_557 ? 
O3 Mn1 O17 94.8(2) 2_657 . ? 
O6 Mn1 O17 99.27(19) . . ? 
O1 Mn1 O17 151.22(18) . . ? 
O10 Mn1 O17 78.21(18) 1_556 . ? 
O7 Mn1 O17 80.90(18) 2_557 . ? 
O12 Mn2 O9 88.8(2) 2_657 1_556 ? 
O12 Mn2 O5 174.5(2) 2_657 2_557 ? 
O9 Mn2 O5 85.81(19) 1_556 2_557 ? 
O12 Mn2 O7 99.40(19) 2_657 2_557 ? 
O9 Mn2 O7 110.49(19) 1_556 2_557 ? 
O5 Mn2 O7 83.73(19) 2_557 2_557 ? 
O12 Mn2 O14 97.98(19) 2_657 . ? 
O9 Mn2 O14 97.0(2) 1_556 . ? 
O5 Mn2 O14 81.40(18) 2_557 . ? 
O7 Mn2 O14 147.60(18) 2_557 . ? 
O12 Mn2 O1 95.26(19) 2_657 . ? 
O9 Mn2 O1 173.75(19) 1_556 . ? 
O5 Mn2 O1 89.96(18) 2_557 . ? 
O7 Mn2 O1 73.54(18) 2_557 . ? 
O14 Mn2 O1 77.82(18) . . ? 
O3 I1 O2 94.0(2) . . ? 
O3 I1 O1 95.6(2) . . ? 
O2 I1 O1 99.8(2) . . ? 
O3 I1 Ag2 54.82(16) . . ? 
O2 I1 Ag2 40.63(15) . . ? 
O1 I1 Ag2 92.28(14) . . ? 
O6 I2 O5 95.0(2) . . ? 
O6 I2 O4 101.7(2) . . ? 
O5 I2 O4 93.6(2) . . ? 
O6 I2 Ag2 57.51(17) . . ? 
O5 I2 Ag2 38.84(14) . . ? 
O4 I2 Ag2 91.30(16) . . ? 
O9 I3 O7 95.1(2) . . ? 
O9 I3 O8 103.0(2) . . ? 
O7 I3 O8 94.4(2) . . ? 
O9 I3 O11 82.02(19) . 2_556 ? 
O7 I3 O11 87.55(19) . 2_556 ? 
O8 I3 O11 174.5(2) . 2_556 ? 
O12 I4 O10 94.8(2) . . ? 
O12 I4 O11 95.2(2) . . ? 
O10 I4 O11 101.7(2) . . ? 
O12 I4 Ag1 56.19(17) . 2_656 ? 
O10 I4 Ag1 38.81(14) . 2_656 ? 
O11 I4 Ag1 106.74(17) . 2_656 ? 
O15 I5 O13 102.3(2) . . ? 
O15 I5 O14 100.6(2) . . ? 
O13 I5 O14 97.9(2) . . ? 
O18 I6 O16 102.6(2) . . ? 
O18 I6 O17 98.8(2) . . ? 
O16 I6 O17 99.4(2) . . ? 
I1 O1 Mn1 129.6(2) . . ? 
I1 O1 Mn2 121.5(2) . . ? 
Mn1 O1 Mn2 105.56(19) . . ? 
I1 O2 Ag2 108.7(2) . . ? 
I1 O3 Mn1 147.2(3) . 2_657 ? 
I1 O3 Ag2 93.0(2) . . ? 
Mn1 O3 Ag2 112.27(19) 2_657 . ? 
I2 O4 Ag1 107.0(2) . . ? 
I2 O5 Mn2 126.9(2) . 2_557 ? 
I2 O5 Ag2 111.0(2) . . ? 
Mn2 O5 Ag2 117.6(2) 2_557 . ? 
I2 O5 Ag1 98.3(2) . . ? 
Mn2 O5 Ag1 102.82(18) 2_557 . ? 
Ag2 O5 Ag1 88.51(16) . . ? 
I2 O6 Mn1 139.7(3) . . ? 
I3 O7 Mn2 127.9(2) . 2_557 ? 
I3 O7 Mn1 123.5(2) . 2_557 ? 
Mn2 O7 Mn1 106.2(2) 2_557 2_557 ? 
I3 O8 Ag2 113.4(2) . . ? 
I3 O9 Mn2 142.1(3) . 1_554 ? 
I3 O9 Ag1 108.3(2) . 2_556 ? 
Mn2 O9 Ag1 104.59(17) 1_554 2_556 ? 
I4 O10 Mn1 124.3(2) . 1_554 ? 
I4 O10 Ag1 111.4(2) . 2_656 ? 
Mn1 O10 Ag1 121.4(2) 1_554 2_656 ? 
I4 O11 Ag1 113.9(2) . . ? 
I4 O11 I3 129.1(2) . 2_556 ? 
Ag1 O11 I3 98.17(18) . 2_556 ? 
I4 O12 Mn2 144.1(3) . 2_657 ? 
I5 O14 Mn2 128.1(2) . . ? 
I6 O17 Mn1 128.4(2) . . ? 
 
_diffrn_measured_fraction_theta_max    0.988 
_diffrn_reflns_theta_full              27.48 
_diffrn_measured_fraction_theta_full   0.988 
_refine_diff_density_max    3.824 
_refine_diff_density_min   -2.164 
_refine_diff_density_rms    0.404 

#===end

 
data_AgMnI4O12 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Ag I4 Mn O12' 
_chemical_formula_weight          862.41 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'I'  'I'  -0.4742   1.8119 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Mn'  'Mn'   0.3368   0.7283 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'triclinic' 
_symmetry_space_group_name_H-M    'P-1'  
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    7.1101(3) 
_cell_length_b                    7.6749(3) 
_cell_length_c                    10.2429(4) 
_cell_angle_alpha                 90.078(3) 
_cell_angle_beta                  103.552(3) 
_cell_angle_gamma                 99.571(3) 
_cell_volume                      535.35(4) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     6942
_cell_measurement_theta_min       2.6883
_cell_measurement_theta_max       27.4070 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.15 
_exptl_crystal_size_mid           0.10 
_exptl_crystal_size_min           0.08 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     5.350 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              760 
_exptl_absorpt_coefficient_mu     14.604 
_exptl_absorpt_correction_type    'analytical' 
_exptl_absorpt_correction_T_min   0.226 
_exptl_absorpt_correction_T_max   0.378 
_exptl_absorpt_process_details    
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
; 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'SuperNova (Mo) X-ray Source' 
_diffrn_radiation_monochromator   'mirror' 
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at zero, Atlas' 
_diffrn_measurement_method        'CCD_Profile_fitting' 
_diffrn_detector_area_resol_mean  10.3503 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             8662 
_diffrn_reflns_av_R_equivalents   0.0262 
_diffrn_reflns_av_sigmaI/netI     0.0254 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -9 
_diffrn_reflns_limit_k_max        9 
_diffrn_reflns_limit_l_min        -13 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          2.69 
_diffrn_reflns_theta_max          27.47 
_reflns_number_total              2450 
_reflns_number_gt                 2270 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0119P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    none 
_refine_ls_hydrogen_treatment     none 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00663(13) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          2450 
_refine_ls_number_parameters      164 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0185 
_refine_ls_R_factor_gt            0.0159 
_refine_ls_wR_factor_ref          0.0333 
_refine_ls_wR_factor_gt           0.0326 
_refine_ls_goodness_of_fit_ref    1.058 
_refine_ls_restrained_S_all       1.058 
_refine_ls_shift/su_max           0.002 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ag1 Ag 0.39139(5) 0.34366(5) 0.08288(3) 0.02593(9) Uani 1 1 d . . . 
Mn1 Mn 0.91633(8) 0.50733(8) 0.22385(6) 0.00965(12) Uani 1 1 d . . . 
I1 I 1.25341(3) 0.73081(3) 0.48560(2) 0.00919(6) Uani 1 1 d . . . 
I2 I 1.21047(3) 0.23004(3) 0.35827(2) 0.01002(7) Uani 1 1 d . . . 
I3 I 0.85541(3) 0.16508(3) -0.00732(2) 0.00962(6) Uani 1 1 d . . . 
I4 I 0.64754(3) 0.81196(3) 0.25088(2) 0.01047(7) Uani 1 1 d . . . 
O1 O 1.0287(4) 0.7085(4) 0.3457(3) 0.0127(6) Uani 1 1 d . . . 
O2 O 1.1266(4) 0.6720(4) 0.6171(3) 0.0174(6) Uani 1 1 d . . . 
O3 O 1.2760(4) 0.9650(3) 0.5073(3) 0.0171(6) Uani 1 1 d . . . 
O4 O 1.3172(4) 0.3510(4) 0.5160(3) 0.0153(6) Uani 1 1 d . . . 
O5 O 1.1598(4) 0.4247(3) 0.2537(3) 0.0126(6) Uani 1 1 d . . . 
O6 O 1.4323(4) 0.2152(4) 0.3053(3) 0.0163(6) Uani 1 1 d . . . 
O7 O 0.7690(4) 0.3190(3) 0.0948(3) 0.0146(6) Uani 1 1 d . . . 
O8 O 1.0381(4) 0.3228(4) -0.0602(3) 0.0153(6) Uani 1 1 d . . . 
O9 O 1.0267(4) 0.0746(4) 0.1258(3) 0.0152(6) Uani 1 1 d . . . 
O10 O 0.6624(4) 0.5837(3) 0.1967(3) 0.0134(6) Uani 1 1 d . . . 
O11 O 0.3954(4) 0.7751(4) 0.2593(3) 0.0160(6) Uani 1 1 d . . . 
O12 O 0.6158(4) 0.8975(4) 0.0847(3) 0.0205(7) Uani 1 1 d . . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ag1 O6 2.457(3) 1_455 ? 
Ag1 O10 2.495(3) . ? 
Ag1 O12 2.508(3) 2_665 ? 
Ag1 O8 2.573(3) 1_455 ? 
Ag1 Ag1 3.3219(7) 2_665 ? 
Mn1 O5 1.900(2) . ? 
Mn1 O1 1.923(3) . ? 
Mn1 O7 1.943(3) . ? 
Mn1 O10 1.948(2) . ? 
Mn1 O8 2.176(3) 2_765 ? 
Mn1 O2 2.178(3) 2_766 ? 
I1 O3 1.786(3) . ? 
I1 O2 1.807(3) . ? 
I1 O1 1.863(3) . ? 
I2 O4 1.798(3) . ? 
I2 O6 1.805(2) . ? 
I2 O5 1.874(3) . ? 
I3 O8 1.804(3) . ? 
I3 O9 1.825(3) . ? 
I3 O7 1.845(2) . ? 
I4 O11 1.791(2) . ? 
I4 O12 1.804(3) . ? 
I4 O10 1.864(3) . ? 
O2 Mn1 2.178(3) 2_766 ? 
O6 Ag1 2.457(3) 1_655 ? 
O8 Mn1 2.176(3) 2_765 ? 
O8 Ag1 2.573(3) 1_655 ? 
O12 Ag1 2.508(3) 2_665 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O6 Ag1 O10 85.18(9) 1_455 . ? 
O6 Ag1 O12 107.67(9) 1_455 2_665 ? 
O10 Ag1 O12 130.96(9) . 2_665 ? 
O6 Ag1 O8 117.06(8) 1_455 1_455 ? 
O10 Ag1 O8 136.68(9) . 1_455 ? 
O12 Ag1 O8 79.88(9) 2_665 1_455 ? 
O6 Ag1 Ag1 141.25(7) 1_455 2_665 ? 
O10 Ag1 Ag1 56.95(6) . 2_665 ? 
O12 Ag1 Ag1 93.50(7) 2_665 2_665 ? 
O8 Ag1 Ag1 98.05(6) 1_455 2_665 ? 
O5 Mn1 O1 92.14(11) . . ? 
O5 Mn1 O7 95.99(11) . . ? 
O1 Mn1 O7 171.83(11) . . ? 
O5 Mn1 O10 177.69(11) . . ? 
O1 Mn1 O10 88.78(11) . . ? 
O7 Mn1 O10 83.13(11) . . ? 
O5 Mn1 O8 96.47(10) . 2_765 ? 
O1 Mn1 O8 88.04(11) . 2_765 ? 
O7 Mn1 O8 90.21(11) . 2_765 ? 
O10 Mn1 O8 85.68(10) . 2_765 ? 
O5 Mn1 O2 82.07(10) . 2_766 ? 
O1 Mn1 O2 93.97(11) . 2_766 ? 
O7 Mn1 O2 87.99(12) . 2_766 ? 
O10 Mn1 O2 95.75(10) . 2_766 ? 
O8 Mn1 O2 177.55(11) 2_765 2_766 ? 
O3 I1 O2 96.78(13) . . ? 
O3 I1 O1 94.50(12) . . ? 
O2 I1 O1 96.07(12) . . ? 
O4 I2 O6 99.12(12) . . ? 
O4 I2 O5 97.24(12) . . ? 
O6 I2 O5 93.46(11) . . ? 
O8 I3 O9 96.20(12) . . ? 
O8 I3 O7 98.01(12) . . ? 
O9 I3 O7 99.49(12) . . ? 
O11 I4 O12 98.08(12) . . ? 
O11 I4 O10 98.53(12) . . ? 
O12 I4 O10 95.06(12) . . ? 
I1 O1 Mn1 127.06(14) . . ? 
I1 O2 Mn1 147.12(15) . 2_766 ? 
I2 O5 Mn1 122.40(14) . . ? 
I2 O6 Ag1 105.80(11) . 1_655 ? 
I3 O7 Mn1 130.27(14) . . ? 
I3 O8 Mn1 142.52(15) . 2_765 ? 
I3 O8 Ag1 115.43(12) . 1_655 ? 
Mn1 O8 Ag1 101.48(10) 2_765 1_655 ? 
I4 O10 Mn1 120.21(14) . . ? 
I4 O10 Ag1 128.81(12) . . ? 
Mn1 O10 Ag1 110.97(11) . . ? 
I4 O12 Ag1 109.92(13) . 2_665 ? 
 
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              27.47 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    0.643 
_refine_diff_density_min   -0.631 
_refine_diff_density_rms    0.153 


#===end

 
data_Ag3MnI6O18 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Ag3 I6 Mn O18' 
_chemical_formula_weight          1427.95 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'I'  'I'  -0.4742   1.8119 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Mn'  'Mn'   0.3368   0.7283 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'triclinic' 
_symmetry_space_group_name_H-M    'p-1' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    6.6378(3) 
_cell_length_b                    6.8724(3) 
_cell_length_c                    10.0243(5) 
_cell_angle_alpha                 73.544(4) 
_cell_angle_beta                  72.194(4) 
_cell_angle_gamma                 81.327(4) 
_cell_volume                      416.51(3) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     4225
_cell_measurement_theta_min       3.0922
_cell_measurement_theta_max       27.4081 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.14 
_exptl_crystal_size_mid           0.06 
_exptl_crystal_size_min           0.04 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     5.693 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              628 
_exptl_absorpt_coefficient_mu     15.429 
_exptl_absorpt_correction_type    'analytical' 
_exptl_absorpt_correction_T_min   0.2213 
_exptl_absorpt_correction_T_max   0.5773 
_exptl_absorpt_process_details    
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
; 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'SuperNova (Mo) X-ray Source' 
_diffrn_radiation_monochromator   'mirror' 
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at zero, Atlas' 
_diffrn_measurement_method        'CCD_Profile_fitting' 
_diffrn_detector_area_resol_mean  10.3503 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             6762 
_diffrn_reflns_av_R_equivalents   0.0286 
_diffrn_reflns_av_sigmaI/netI     0.0281 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        8 
_diffrn_reflns_limit_k_min        -8 
_diffrn_reflns_limit_k_max        8 
_diffrn_reflns_limit_l_min        -12 
_diffrn_reflns_limit_l_max        12 
_diffrn_reflns_theta_min          3.10 
_diffrn_reflns_theta_max          27.47 
_reflns_number_total              1905 
_reflns_number_gt                 1668 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0148P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    none 
_refine_ls_hydrogen_treatment     none 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.0146(3) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          1905 
_refine_ls_number_parameters      131 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0248 
_refine_ls_R_factor_gt            0.0196 
_refine_ls_wR_factor_ref          0.0425 
_refine_ls_wR_factor_gt           0.0395 
_refine_ls_goodness_of_fit_ref    1.046 
_refine_ls_restrained_S_all       1.046 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ag1 Ag 1.07394(5) -0.04071(5) 0.29538(4) 0.02134(10) Uani 1 1 d . . . 
Ag2 Ag 0.5000 0.0000 0.5000 0.02930(16) Uani 1 2 d S . . 
Mn1 Mn 1.0000 -0.5000 0.0000 0.00839(19) Uani 1 2 d S . . 
I1 I 0.69668(4) -0.03006(4) 0.10247(3) 0.01037(8) Uani 1 1 d . . . 
I2 I 1.36681(4) 0.45603(4) 0.20098(3) 0.00870(8) Uani 1 1 d . . . 
I3 I 0.77413(4) 0.42889(4) 0.38729(3) 0.00959(9) Uani 1 1 d . . . 
O1 O 0.8998(4) -0.1720(4) -0.0101(4) 0.0170(7) Uani 1 1 d . . . 
O2 O 0.7511(5) -0.1461(4) 0.2755(4) 0.0194(7) Uani 1 1 d . . . 
O3 O 0.4647(4) -0.1625(4) 0.1305(4) 0.0168(7) Uani 1 1 d . . . 
O4 O 1.1334(4) 0.5308(4) 0.3321(4) 0.0148(7) Uani 1 1 d . . . 
O5 O 1.2551(4) 0.5376(4) 0.0405(3) 0.0137(7) Uani 1 1 d . . . 
O6 O 1.3524(5) 0.1845(4) 0.2432(4) 0.0176(7) Uani 1 1 d . . . 
O7 O 0.4979(4) 0.3808(4) 0.4117(4) 0.0171(7) Uani 1 1 d . . . 
O8 O 0.8520(4) 0.3968(4) 0.2004(3) 0.0150(7) Uani 1 1 d . . . 
O9 O 0.8437(5) 0.1706(4) 0.4729(4) 0.0198(8) Uani 1 1 d . . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ag1 O6 2.428(3) . ? 
Ag1 O9 2.439(3) 2_756 ? 
Ag1 O2 2.443(3) . ? 
Ag1 O9 2.596(3) . ? 
Ag2 O7 2.513(3) . ? 
Ag2 O7 2.513(3) 2_656 ? 
Mn1 O8 1.924(3) 2_755 ? 
Mn1 O8 1.924(3) 1_545 ? 
Mn1 O5 1.926(3) 1_545 ? 
Mn1 O5 1.926(3) 2_755 ? 
Mn1 O1 2.234(3) . ? 
Mn1 O1 2.234(3) 2_745 ? 
I1 O2 1.813(3) . ? 
I1 O3 1.814(3) . ? 
I1 O1 1.828(3) . ? 
I2 O6 1.804(3) . ? 
I2 O4 1.813(3) . ? 
I2 O5 1.883(3) . ? 
I2 O7 2.420(3) 1_655 ? 
I3 O9 1.798(3) . ? 
I3 O7 1.842(3) . ? 
I3 O8 1.852(3) . ? 
I3 O4 2.442(3) . ? 
O5 Mn1 1.926(3) 1_565 ? 
O7 I2 2.420(3) 1_455 ? 
O8 Mn1 1.924(3) 1_565 ? 
O9 Ag1 2.439(3) 2_756 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O6 Ag1 O9 83.51(11) . 2_756 ? 
O6 Ag1 O2 156.23(10) . . ? 
O9 Ag1 O2 117.39(11) 2_756 . ? 
O6 Ag1 O9 86.77(10) . . ? 
O9 Ag1 O9 71.16(10) 2_756 . ? 
O2 Ag1 O9 89.58(10) . . ? 
O7 Ag2 O7 180.0 . 2_656 ? 
O8 Mn1 O8 180.00(17) 2_755 1_545 ? 
O8 Mn1 O5 85.88(13) 2_755 1_545 ? 
O8 Mn1 O5 94.12(13) 1_545 1_545 ? 
O8 Mn1 O5 94.12(13) 2_755 2_755 ? 
O8 Mn1 O5 85.88(13) 1_545 2_755 ? 
O5 Mn1 O5 180.0 1_545 2_755 ? 
O8 Mn1 O1 83.50(12) 2_755 . ? 
O8 Mn1 O1 96.50(12) 1_545 . ? 
O5 Mn1 O1 88.92(11) 1_545 . ? 
O5 Mn1 O1 91.08(11) 2_755 . ? 
O8 Mn1 O1 96.50(12) 2_755 2_745 ? 
O8 Mn1 O1 83.50(12) 1_545 2_745 ? 
O5 Mn1 O1 91.08(11) 1_545 2_745 ? 
O5 Mn1 O1 88.92(11) 2_755 2_745 ? 
O1 Mn1 O1 180.0 . 2_745 ? 
O2 I1 O3 98.81(14) . . ? 
O2 I1 O1 99.41(14) . . ? 
O3 I1 O1 100.49(13) . . ? 
O6 I2 O4 102.32(14) . . ? 
O6 I2 O5 99.95(13) . . ? 
O4 I2 O5 97.18(13) . . ? 
O6 I2 O7 84.60(12) . 1_655 ? 
O4 I2 O7 79.31(12) . 1_655 ? 
O5 I2 O7 174.81(12) . 1_655 ? 
O9 I3 O7 94.01(14) . . ? 
O9 I3 O8 96.40(14) . . ? 
O7 I3 O8 90.83(14) . . ? 
O9 I3 O4 92.75(12) . . ? 
O7 I3 O4 172.88(12) . . ? 
O8 I3 O4 86.20(11) . . ? 
I1 O1 Mn1 135.85(17) . . ? 
I1 O2 Ag1 113.89(14) . . ? 
I2 O4 I3 126.61(14) . . ? 
I2 O5 Mn1 136.43(17) . 1_565 ? 
I2 O6 Ag1 135.29(14) . . ? 
I3 O7 I2 118.99(16) . 1_455 ? 
I3 O7 Ag2 102.73(12) . . ? 
I2 O7 Ag2 103.69(11) 1_455 . ? 
I3 O8 Mn1 147.53(16) . 1_565 ? 
I3 O9 Ag1 128.13(16) . 2_756 ? 
I3 O9 Ag1 114.54(16) . . ? 
Ag1 O9 Ag1 108.84(10) 2_756 . ? 
 
_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              27.47 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    0.983 
_refine_diff_density_min   -0.980 
_refine_diff_density_rms    0.201 

#===end
