# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1870994'
_audit_update_record             
;
2018-10-02 deposited with the CCDC.
2018-11-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B K3 O13 Sb4'
_chemical_formula_weight         823.11

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.1167(4)
_cell_length_b                   7.2147(3)
_cell_length_c                   13.2268(4)
_cell_angle_alpha                81.973(3)
_cell_angle_beta                 99.788(4)
_cell_angle_gamma                117.046(4)
_cell_volume                     594.55(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    295
_cell_measurement_reflns_used    10952
_cell_measurement_theta_min      1.566
_cell_measurement_theta_max      36.394

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.598
_exptl_crystal_F_000             740
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.354
_exptl_crystal_size_mid          0.189
_exptl_crystal_size_min          0.102
_exptl_absorpt_coefficient_mu    10.112
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.1619
_exptl_absorpt_correction_T_max  0.5684
_exptl_absorpt_process_details   Jana2006
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker-Nonius Kappa CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10952
_diffrn_reflns_av_unetI/netI     0.0501
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.566
_diffrn_reflns_theta_max         36.394
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5787
_reflns_number_gt                4749
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Collect (Nonius BV, 1998)'
_computing_cell_refinement       'Dirax/LSQ (Duisenberg et al., 2000)'
_computing_data_reduction        'EvalCCD (Duisenberg et al., 2003)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+6.1913P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00333(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5787
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_ref         0.0760
_refine_ls_wR_factor_gt          0.0713
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_restrained_S_all      1.144
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.58037(5) 0.93345(5) 0.60514(2) 0.00570(6) Uani 1 1 d . . . . .
Sb2 Sb 0.16819(5) 0.29414(5) 0.20674(2) 0.00537(6) Uani 1 1 d . . . . .
Sb3 Sb 0.16323(5) 0.79053(5) 0.20951(2) 0.00522(6) Uani 1 1 d . . . . .
Sb4 Sb 0.68205(5) 0.30886(5) 0.21270(2) 0.00527(6) Uani 1 1 d . . . . .
K1 K 0.2939(2) 0.2177(2) 0.69349(11) 0.0204(2) Uani 1 1 d . . . . .
K2A K 0.118(3) 0.410(2) 0.4433(7) 0.0306(18) Uani 0.55(7) 1 d . . P . .
K2B K 0.078(4) 0.375(4) 0.4488(10) 0.038(3) Uani 0.45(7) 1 d . . P . .
K3 K 0.3089(2) 0.2196(2) 0.96720(10) 0.0203(2) Uani 1 1 d . . . . .
B B 0.8401(9) 0.2703(9) 0.0227(4) 0.0096(9) Uani 1 1 d . . . . .
O1 O 0.4077(6) 0.0851(6) 0.5393(3) 0.0105(6) Uani 1 1 d . . . . .
O2 O 0.2263(6) 0.8192(6) 0.0691(3) 0.0119(7) Uani 1 1 d . . . . .
O3 O 0.0650(6) 0.0062(5) 0.1696(3) 0.0102(6) Uani 1 1 d . . . . .
O4 O 0.3248(5) 0.6728(5) 0.6377(3) 0.0085(6) Uani 1 1 d . . . . .
O5 O 0.2683(6) 0.5812(6) 0.2466(3) 0.0109(6) Uani 1 1 d . . . . .
O6 O 0.2586(6) 0.2253(6) 0.3502(3) 0.0103(6) Uani 1 1 d . . . . .
O7 O 0.4471(5) 0.3831(6) 0.1603(3) 0.0088(6) Uani 1 1 d . . . . .
O8 O 0.8967(5) 0.2103(6) 0.2586(3) 0.0089(6) Uani 1 1 d . . . . .
O9 O 0.4626(5) 0.0133(5) 0.2506(3) 0.0073(6) Uani 1 1 d . . . . .
O10 O 0.8648(5) 0.6026(6) 0.1932(3) 0.0101(6) Uani 1 1 d . . . . .
O11 O 0.6768(6) 0.2497(6) 0.0727(3) 0.0118(7) Uani 1 1 d . . . . .
O12 O 0.9476(6) 0.6495(6) 0.9354(3) 0.0097(6) Uani 1 1 d . . . . .
O13 O 0.1614(6) 0.8055(6) 0.3615(3) 0.0091(6) 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
Sb1 O6 1.936(4) 2_666 ?
Sb1 O1 1.952(4) 2_666 ?
Sb1 O13 1.982(4) 2_676 ?
Sb1 O4 1.990(4) . ?
Sb1 O1 2.014(4) 1_565 ?
Sb1 O9 2.096(3) 2_666 ?
Sb1 Sb1 3.0228(6) 2_676 ?
Sb1 Sb4 3.1198(5) 2_666 ?
Sb1 Sb3 3.1375(4) 2_676 ?
Sb1 K1 3.8742(13) 1_565 ?
Sb1 K2A 4.113(9) 2_666 ?
Sb1 K2B 4.15(2) 2_566 ?
Sb2 O8 1.960(3) 1_455 ?
Sb2 O3 1.968(3) . ?
Sb2 O7 1.968(3) . ?
Sb2 O6 1.969(4) . ?
Sb2 O5 1.977(4) . ?
Sb2 O12 1.986(4) 2_666 ?
Sb2 K2A 3.464(9) . ?
Sb2 K2B 3.545(13) . ?
Sb2 K3 3.6572(15) 1_554 ?
Sb2 K1 3.9068(15) 2_556 ?
Sb2 K1 4.0149(15) 2_666 ?
Sb3 O10 1.924(3) 1_455 ?
Sb3 O5 1.944(4) . ?
Sb3 O2 1.946(4) . ?
Sb3 O3 1.955(3) 1_565 ?
Sb3 O13 2.030(3) . ?
Sb3 O9 2.038(3) 1_565 ?
Sb3 K1 3.6682(13) 2_566 ?
Sb3 K3 3.7301(13) 2_566 ?
Sb3 K2A 3.790(10) . ?
Sb3 K1 3.8830(14) 2_666 ?
Sb3 K2B 3.97(2) . ?
Sb4 O10 1.925(4) . ?
Sb4 O8 1.939(3) . ?
Sb4 O11 1.948(4) . ?
Sb4 O7 1.970(3) . ?
Sb4 O4 2.012(4) 2_666 ?
Sb4 O9 2.043(3) . ?
Sb4 K1 3.7170(13) 2_666 ?
Sb4 K3 3.7559(13) 1_554 ?
Sb4 K2B 3.756(11) 1_655 ?
Sb4 K2A 3.847(13) 1_655 ?
Sb4 K3 3.8511(14) 2_666 ?
K1 O1 2.746(4) . ?
K1 O10 2.766(4) 2_666 ?
K1 O8 2.777(4) 2_656 ?
K1 O5 2.795(4) 2_666 ?
K1 O9 2.859(4) 2_656 ?
K1 O3 3.068(4) 2_556 ?
K1 O13 3.130(4) 2_566 ?
K1 O4 3.178(4) . ?
K1 O7 3.308(4) 2_666 ?
K1 K2B 3.605(13) . ?
K1 K3 3.6055(19) . ?
K1 K2A 3.652(9) . ?
K2A O6 2.527(10) . ?
K2A O13 2.803(10) . ?
K2A O8 2.851(12) 1_455 ?
K2A O5 2.879(13) . ?
K2A O4 2.957(17) 2_566 ?
K2A K2B 3.105(9) 2_566 ?
K2A O4 3.149(11) . ?
K2A K2A 3.18(2) 2_566 ?
K2A O13 3.293(15) 2_566 ?
K2B O6 2.598(12) . ?
K2B O4 2.780(15) 2_566 ?
K2B O8 2.781(12) 1_455 ?
K2B O13 2.98(2) . ?
K2B K2B 3.05(2) 2_566 ?
K2B O13 3.07(2) 2_566 ?
K2B O5 3.08(2) . ?
K2B O4 3.245(14) . ?
K3 O11 2.679(4) 1_556 ?
K3 O10 2.732(4) 2_666 ?
K3 O7 2.796(4) 1_556 ?
K3 O2 2.854(4) 1_546 ?
K3 O3 2.873(4) 2_556 ?
K3 O12 2.932(4) 2_667 ?
K3 O7 3.032(4) 2_666 ?
K3 B 3.185(6) 2_656 ?
K3 O3 3.249(4) 1_556 ?
K3 B 3.583(6) 1_556 ?
B O2 1.363(6) 2_665 ?
B O11 1.374(7) . ?
B O12 1.391(7) 2_766 ?

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 Sb1 O1 91.59(15) 2_666 2_666 ?
O6 Sb1 O13 90.01(16) 2_666 2_676 ?
O1 Sb1 O13 102.25(15) 2_666 2_676 ?
O6 Sb1 O4 86.57(16) 2_666 . ?
O1 Sb1 O4 102.90(15) 2_666 . ?
O13 Sb1 O4 154.70(14) 2_676 . ?
O6 Sb1 O1 172.08(14) 2_666 1_565 ?
O1 Sb1 O1 80.72(15) 2_666 1_565 ?
O13 Sb1 O1 93.46(16) 2_676 1_565 ?
O4 Sb1 O1 93.27(16) . 1_565 ?
O6 Sb1 O9 99.05(14) 2_666 2_666 ?
O1 Sb1 O9 169.35(14) 2_666 2_666 ?
O13 Sb1 O9 77.53(14) 2_676 2_666 ?
O4 Sb1 O9 78.28(14) . 2_666 ?
O1 Sb1 O9 88.66(14) 1_565 2_666 ?
O6 Sb1 Sb1 132.69(11) 2_666 2_676 ?
O1 Sb1 Sb1 41.12(11) 2_666 2_676 ?
O13 Sb1 Sb1 100.21(11) 2_676 2_676 ?
O4 Sb1 Sb1 100.50(11) . 2_676 ?
O1 Sb1 Sb1 39.60(10) 1_565 2_676 ?
O9 Sb1 Sb1 128.25(10) 2_666 2_676 ?
O6 Sb1 Sb4 86.10(11) 2_666 2_666 ?
O1 Sb1 Sb4 141.90(12) 2_666 2_666 ?
O13 Sb1 Sb4 115.76(10) 2_676 2_666 ?
O4 Sb1 Sb4 39.01(10) . 2_666 ?
O1 Sb1 Sb4 98.75(11) 1_565 2_666 ?
O9 Sb1 Sb4 40.46(10) 2_666 2_666 ?
Sb1 Sb1 Sb4 127.565(17) 2_676 2_666 ?
O6 Sb1 Sb3 87.35(11) 2_666 2_676 ?
O1 Sb1 Sb3 141.31(12) 2_666 2_676 ?
O13 Sb1 Sb3 39.12(10) 2_676 2_676 ?
O4 Sb1 Sb3 115.62(10) . 2_676 ?
O1 Sb1 Sb3 99.83(11) 1_565 2_676 ?
O9 Sb1 Sb3 39.95(10) 2_666 2_676 ?
Sb1 Sb1 Sb3 128.158(17) 2_676 2_676 ?
Sb4 Sb1 Sb3 76.640(11) 2_666 2_676 ?
O6 Sb1 K1 145.30(11) 2_666 1_565 ?
O1 Sb1 K1 123.10(11) 2_666 1_565 ?
O13 Sb1 K1 83.37(11) 2_676 1_565 ?
O4 Sb1 K1 85.27(10) . 1_565 ?
O1 Sb1 K1 42.41(10) 1_565 1_565 ?
O9 Sb1 K1 46.26(10) 2_666 1_565 ?
Sb1 Sb1 K1 81.99(2) 2_676 1_565 ?
Sb4 Sb1 K1 66.76(2) 2_666 1_565 ?
Sb3 Sb1 K1 66.29(2) 2_676 1_565 ?
O6 Sb1 K2A 26.29(16) 2_666 2_666 ?
O1 Sb1 K2A 65.40(17) 2_666 2_666 ?
O13 Sb1 K2A 97.4(3) 2_676 2_666 ?
O4 Sb1 K2A 90.5(3) . 2_666 ?
O1 Sb1 K2A 145.87(16) 1_565 2_666 ?
O9 Sb1 K2A 125.25(16) 2_666 2_666 ?
Sb1 Sb1 K2A 106.43(13) 2_676 2_666 ?
Sb4 Sb1 K2A 105.3(2) 2_666 2_666 ?
Sb3 Sb1 K2A 108.98(19) 2_676 2_666 ?
K1 Sb1 K2A 171.19(15) 1_565 2_666 ?
O6 Sb1 K2B 119.7(3) 2_666 2_566 ?
O1 Sb1 K2B 88.9(2) 2_666 2_566 ?
O13 Sb1 K2B 148.2(2) 2_676 2_566 ?
O4 Sb1 K2B 35.5(3) . 2_566 ?
O1 Sb1 K2B 58.7(3) 1_565 2_566 ?
O9 Sb1 K2B 86.2(2) 2_666 2_566 ?
Sb1 Sb1 K2B 68.9(3) 2_676 2_566 ?
Sb4 Sb1 K2B 60.3(3) 2_666 2_566 ?
Sb3 Sb1 K2B 124.76(16) 2_676 2_566 ?
K1 Sb1 K2B 65.87(19) 1_565 2_566 ?
K2A Sb1 K2B 114.2(4) 2_666 2_566 ?
O8 Sb2 O3 88.83(15) 1_455 . ?
O8 Sb2 O7 177.56(15) 1_455 . ?
O3 Sb2 O7 92.63(15) . . ?
O8 Sb2 O6 83.44(15) 1_455 . ?
O3 Sb2 O6 92.31(15) . . ?
O7 Sb2 O6 94.55(15) . . ?
O8 Sb2 O5 90.13(15) 1_455 . ?
O3 Sb2 O5 178.77(16) . . ?
O7 Sb2 O5 88.38(15) . . ?
O6 Sb2 O5 86.90(16) . . ?
O8 Sb2 O12 92.01(15) 1_455 2_666 ?
O3 Sb2 O12 86.27(15) . 2_666 ?
O7 Sb2 O12 90.03(15) . 2_666 ?
O6 Sb2 O12 175.26(15) . 2_666 ?
O5 Sb2 O12 94.44(16) . 2_666 ?
O8 Sb2 K2A 55.4(3) 1_455 . ?
O3 Sb2 K2A 122.6(3) . . ?
O7 Sb2 K2A 122.2(3) . . ?
O6 Sb2 K2A 45.91(17) . . ?
O5 Sb2 K2A 56.2(3) . . ?
O12 Sb2 K2A 131.79(19) 2_666 . ?
O8 Sb2 K2B 51.4(4) 1_455 . ?
O3 Sb2 K2B 118.7(4) . . ?
O7 Sb2 K2B 126.2(4) . . ?
O6 Sb2 K2B 46.0(2) . . ?
O5 Sb2 K2B 60.1(4) . . ?
O12 Sb2 K2B 131.2(2) 2_666 . ?
K2A Sb2 K2B 4.6(4) . . ?
O8 Sb2 K3 133.37(11) 1_455 1_554 ?
O3 Sb2 K3 62.28(11) . 1_554 ?
O7 Sb2 K3 49.06(11) . 1_554 ?
O6 Sb2 K3 129.90(11) . 1_554 ?
O5 Sb2 K3 118.94(12) . 1_554 ?
O12 Sb2 K3 53.08(11) 2_666 1_554 ?
K2A Sb2 K3 171.2(3) . 1_554 ?
K2B Sb2 K3 175.0(3) . 1_554 ?
O8 Sb2 K1 41.94(11) 1_455 2_556 ?
O3 Sb2 K1 50.78(11) . 2_556 ?
O7 Sb2 K1 138.61(11) . 2_556 ?
O6 Sb2 K1 71.76(11) . 2_556 ?
O5 Sb2 K1 128.02(11) . 2_556 ?
O12 Sb2 K1 103.95(11) 2_666 2_556 ?
K2A Sb2 K1 76.1(3) . 2_556 ?
K2B Sb2 K1 71.6(5) . 2_556 ?
K3 Sb2 K1 110.80(3) 1_554 2_556 ?
O8 Sb2 K1 122.78(11) 1_455 2_666 ?
O3 Sb2 K1 140.82(11) . 2_666 ?
O7 Sb2 K1 55.08(11) . 2_666 ?
O6 Sb2 K1 71.45(11) . 2_666 ?
O5 Sb2 K1 39.68(11) . 2_666 ?
O12 Sb2 K1 112.36(11) 2_666 2_666 ?
K2A Sb2 K1 70.9(3) . 2_666 ?
K2B Sb2 K1 75.5(4) . 2_666 ?
K3 Sb2 K1 100.71(3) 1_554 2_666 ?
K1 Sb2 K1 141.71(4) 2_556 2_666 ?
O10 Sb3 O5 97.49(15) 1_455 . ?
O10 Sb3 O2 100.24(16) 1_455 . ?
O5 Sb3 O2 90.68(17) . . ?
O10 Sb3 O3 83.92(16) 1_455 1_565 ?
O5 Sb3 O3 178.19(16) . 1_565 ?
O2 Sb3 O3 87.94(16) . 1_565 ?
O10 Sb3 O13 91.67(15) 1_455 . ?
O5 Sb3 O13 88.60(16) . . ?
O2 Sb3 O13 168.06(15) . . ?
O3 Sb3 O13 92.50(15) 1_565 . ?
O10 Sb3 O9 167.76(15) 1_455 1_565 ?
O5 Sb3 O9 88.59(15) . 1_565 ?
O2 Sb3 O9 90.26(15) . 1_565 ?
O3 Sb3 O9 90.24(15) 1_565 1_565 ?
O13 Sb3 O9 77.80(14) . 1_565 ?
O10 Sb3 Sb1 126.93(11) 1_455 2_676 ?
O5 Sb3 Sb1 96.68(11) . 2_676 ?
O2 Sb3 Sb1 130.41(11) . 2_676 ?
O3 Sb3 Sb1 83.33(11) 1_565 2_676 ?
O13 Sb3 Sb1 38.02(10) . 2_676 ?
O9 Sb3 Sb1 41.33(9) 1_565 2_676 ?
O10 Sb3 K1 47.66(11) 1_455 2_566 ?
O5 Sb3 K1 125.06(12) . 2_566 ?
O2 Sb3 K1 130.24(12) . 2_566 ?
O3 Sb3 K1 56.75(12) 1_565 2_566 ?
O13 Sb3 K1 58.50(11) . 2_566 ?
O9 Sb3 K1 120.33(10) 1_565 2_566 ?
Sb1 Sb3 K1 83.11(2) 2_676 2_566 ?
O10 Sb3 K3 44.99(11) 1_455 2_566 ?
O5 Sb3 K3 131.11(11) . 2_566 ?
O2 Sb3 K3 72.21(12) . 2_566 ?
O3 Sb3 K3 49.46(11) 1_565 2_566 ?
O13 Sb3 K3 116.76(11) . 2_566 ?
O9 Sb3 K3 135.19(10) 1_565 2_566 ?
Sb1 Sb3 K3 129.56(2) 2_676 2_566 ?
K1 Sb3 K3 58.33(3) 2_566 2_566 ?
O10 Sb3 K2A 78.2(3) 1_455 . ?
O5 Sb3 K2A 48.0(2) . . ?
O2 Sb3 K2A 137.09(17) . . ?
O3 Sb3 K2A 133.6(2) 1_565 . ?
O13 Sb3 K2A 46.31(16) . . ?
O9 Sb3 K2A 98.4(3) 1_565 . ?
Sb1 Sb3 K2A 74.45(19) 2_676 . ?
K1 Sb3 K2A 80.2(2) 2_566 . ?
K3 Sb3 K2A 122.7(3) 2_566 . ?
O10 Sb3 K1 139.88(11) 1_455 2_666 ?
O5 Sb3 K1 42.97(11) . 2_666 ?
O2 Sb3 K1 88.77(12) . 2_666 ?
O3 Sb3 K1 135.78(11) 1_565 2_666 ?
O13 Sb3 K1 82.59(11) . 2_666 ?
O9 Sb3 K1 45.69(10) 1_565 2_666 ?
Sb1 Sb3 K1 66.00(2) 2_676 2_666 ?
K1 Sb3 K1 140.92(4) 2_566 2_666 ?
K3 Sb3 K1 160.63(3) 2_566 2_666 ?
K2A Sb3 K1 69.2(3) . 2_666 ?
O10 Sb3 K2B 74.7(3) 1_455 . ?
O5 Sb3 K2B 49.5(2) . . ?
O2 Sb3 K2B 137.3(2) . . ?
O3 Sb3 K2B 132.1(2) 1_565 . ?
O13 Sb3 K2B 47.1(2) . . ?
O9 Sb3 K2B 101.8(3) 1_565 . ?
Sb1 Sb3 K2B 76.8(3) 2_676 . ?
K1 Sb3 K2B 77.7(2) 2_566 . ?
K3 Sb3 K2B 119.2(3) 2_566 . ?
K2A Sb3 K2B 3.5(3) . . ?
K1 Sb3 K2B 72.5(3) 2_666 . ?
O10 Sb4 O8 99.11(15) . . ?
O10 Sb4 O11 94.77(17) . . ?
O8 Sb4 O11 89.41(16) . . ?
O10 Sb4 O7 85.61(15) . . ?
O8 Sb4 O7 174.52(15) . . ?
O11 Sb4 O7 87.42(16) . . ?
O10 Sb4 O4 92.72(15) . 2_666 ?
O8 Sb4 O4 86.60(15) . 2_666 ?
O11 Sb4 O4 171.99(16) . 2_666 ?
O7 Sb4 O4 95.99(15) . 2_666 ?
O10 Sb4 O9 169.53(15) . . ?
O8 Sb4 O9 86.94(14) . . ?
O11 Sb4 O9 93.82(15) . . ?
O7 Sb4 O9 88.81(14) . . ?
O4 Sb4 O9 79.04(14) 2_666 . ?
O10 Sb4 Sb1 128.77(11) . 2_666 ?
O8 Sb4 Sb1 93.37(10) . 2_666 ?
O11 Sb4 Sb1 135.06(12) . 2_666 ?
O7 Sb4 Sb1 85.73(10) . 2_666 ?
O4 Sb4 Sb1 38.51(10) 2_666 2_666 ?
O9 Sb4 Sb1 41.73(9) . 2_666 ?
O10 Sb4 K1 46.39(11) . 2_666 ?
O8 Sb4 K1 122.80(11) . 2_666 ?
O11 Sb4 K1 129.10(12) . 2_666 ?
O7 Sb4 K1 62.55(11) . 2_666 ?
O4 Sb4 K1 58.71(10) 2_666 2_666 ?
O9 Sb4 K1 123.15(10) . 2_666 ?
Sb1 Sb4 K1 85.52(2) 2_666 2_666 ?
O10 Sb4 K3 100.97(11) . 1_554 ?
O8 Sb4 K3 129.14(11) . 1_554 ?
O11 Sb4 K3 42.86(11) . 1_554 ?
O7 Sb4 K3 46.58(11) . 1_554 ?
O4 Sb4 K3 137.91(10) 2_666 1_554 ?
O9 Sb4 K3 81.40(10) . 1_554 ?
Sb1 Sb4 K3 108.74(2) 2_666 1_554 ?
K1 Sb4 K3 104.58(3) 2_666 1_554 ?
O10 Sb4 K2B 80.4(4) . 1_655 ?
O8 Sb4 K2B 45.9(2) . 1_655 ?
O11 Sb4 K2B 132.4(2) . 1_655 ?
O7 Sb4 K2B 138.4(2) . 1_655 ?
O4 Sb4 K2B 46.4(3) 2_666 1_655 ?
O9 Sb4 K2B 98.1(4) . 1_655 ?
Sb1 Sb4 K2B 73.6(4) 2_666 1_655 ?
K1 Sb4 K2B 79.9(2) 2_666 1_655 ?
K3 Sb4 K2B 175.03(17) 1_554 1_655 ?
O10 Sb4 K2A 76.6(2) . 1_655 ?
O8 Sb4 K2A 45.65(15) . 1_655 ?
O11 Sb4 K2A 130.2(2) . 1_655 ?
O7 Sb4 K2A 138.99(16) . 1_655 ?
O4 Sb4 K2A 49.3(2) 2_666 1_655 ?
O9 Sb4 K2A 102.2(2) . 1_655 ?
Sb1 Sb4 K2A 77.7(3) 2_666 1_655 ?
K1 Sb4 K2A 78.83(10) 2_666 1_655 ?
K3 Sb4 K2A 172.8(2) 1_554 1_655 ?
K2B Sb4 K2A 4.2(4) 1_655 1_655 ?
O10 Sb4 K3 41.68(11) . 2_666 ?
O8 Sb4 K3 131.75(11) . 2_666 ?
O11 Sb4 K3 72.23(12) . 2_666 ?
O7 Sb4 K3 51.15(11) . 2_666 ?
O4 Sb4 K3 115.50(10) 2_666 2_666 ?
O9 Sb4 K3 137.03(10) . 2_666 ?
Sb1 Sb4 K3 131.22(2) 2_666 2_666 ?
K1 Sb4 K3 56.87(3) 2_666 2_666 ?
K3 Sb4 K3 60.48(4) 1_554 2_666 ?
K2B Sb4 K3 121.6(4) 1_655 2_666 ?
K2A Sb4 K3 118.06(19) 1_655 2_666 ?
O1 K1 O10 165.29(12) . 2_666 ?
O1 K1 O8 79.82(11) . 2_656 ?
O10 K1 O8 107.99(11) 2_666 2_656 ?
O1 K1 O5 84.08(12) . 2_666 ?
O10 K1 O5 102.97(12) 2_666 2_666 ?
O8 K1 O5 115.18(11) 2_656 2_666 ?
O1 K1 O9 61.62(11) . 2_656 ?
O10 K1 O9 133.07(12) 2_666 2_656 ?
O8 K1 O9 58.17(10) 2_656 2_656 ?
O5 K1 O9 58.93(10) 2_666 2_656 ?
O1 K1 O3 132.10(12) . 2_556 ?
O10 K1 O3 52.49(10) 2_666 2_556 ?
O8 K1 O3 55.84(10) 2_656 2_556 ?
O5 K1 O3 128.34(12) 2_666 2_556 ?
O9 K1 O3 102.23(10) 2_656 2_556 ?
O1 K1 O13 111.92(11) . 2_566 ?
O10 K1 O13 57.15(10) 2_666 2_566 ?
O8 K1 O13 88.17(10) 2_656 2_566 ?
O5 K1 O13 154.32(11) 2_666 2_566 ?
O9 K1 O13 146.07(11) 2_656 2_566 ?
O3 K1 O13 55.36(10) 2_556 2_566 ?
O1 K1 O4 111.73(11) . . ?
O10 K1 O4 56.78(10) 2_666 . ?
O8 K1 O4 157.56(11) 2_656 . ?
O5 K1 O4 85.84(10) 2_666 . ?
O9 K1 O4 144.08(11) 2_656 . ?
O3 K1 O4 105.57(10) 2_556 . ?
O13 K1 O4 69.80(9) 2_566 . ?
O1 K1 O7 132.77(11) . 2_666 ?
O10 K1 O7 50.71(10) 2_666 2_666 ?
O8 K1 O7 131.90(11) 2_656 2_666 ?
O5 K1 O7 52.75(10) 2_666 2_666 ?
O9 K1 O7 102.21(10) 2_656 2_666 ?
O3 K1 O7 93.37(10) 2_556 2_666 ?
O13 K1 O7 104.10(9) 2_566 2_666 ?
O4 K1 O7 54.24(9) . 2_666 ?
O1 K1 K2B 71.1(2) . . ?
O10 K1 K2B 94.2(2) 2_666 . ?
O8 K1 K2B 113.6(4) 2_656 . ?
O5 K1 K2B 119.2(5) 2_666 . ?
O9 K1 K2B 132.7(2) 2_656 . ?
O3 K1 K2B 108.4(4) 2_556 . ?
O13 K1 K2B 53.6(4) 2_566 . ?
O4 K1 K2B 56.7(3) . . ?
O7 K1 K2B 110.8(3) 2_666 . ?
O1 K1 K3 146.09(9) . . ?
O10 K1 K3 48.62(8) 2_666 . ?
O8 K1 K3 81.23(8) 2_656 . ?
O5 K1 K3 78.92(9) 2_666 . ?
O9 K1 K3 84.49(8) 2_656 . ?
O3 K1 K3 50.21(8) 2_556 . ?
O13 K1 K3 95.24(8) 2_566 . ?
O4 K1 K3 96.14(7) . . ?
O7 K1 K3 51.81(7) 2_666 . ?
K2B K1 K3 142.69(19) . . ?
O1 K1 K2A 70.06(16) . . ?
O10 K1 K2A 95.23(17) 2_666 . ?
O8 K1 K2A 117.4(3) 2_656 . ?
O5 K1 K2A 114.6(3) 2_666 . ?
O9 K1 K2A 131.58(17) 2_656 . ?
O3 K1 K2A 112.5(3) 2_556 . ?
O13 K1 K2A 57.5(3) 2_566 . ?
O4 K1 K2A 54.38(17) . . ?
O7 K1 K2A 108.1(2) 2_666 . ?
K2B K1 K2A 4.6(4) . . ?
K3 K1 K2A 143.83(15) . . ?
O6 K2A O13 117.9(5) . . ?
O6 K2A O8 57.8(2) . 1_455 ?
O13 K2A O8 94.5(3) . 1_455 ?
O6 K2A O5 59.8(3) . . ?
O13 K2A O5 58.5(3) . . ?
O8 K2A O5 58.2(2) 1_455 . ?
O6 K2A O4 112.5(4) . 2_566 ?
O13 K2A O4 77.5(3) . 2_566 ?
O8 K2A O4 55.6(3) 1_455 2_566 ?
O5 K2A O4 92.9(3) . 2_566 ?
O6 K2A K2B 177.1(8) . 2_566 ?
O13 K2A K2B 62.3(5) . 2_566 ?
O8 K2A K2B 119.4(6) 1_455 2_566 ?
O5 K2A K2B 119.9(5) . 2_566 ?
O4 K2A K2B 64.7(5) 2_566 2_566 ?
O6 K2A O4 130.1(6) . . ?
O13 K2A O4 78.4(3) . . ?
O8 K2A O4 171.3(3) 1_455 . ?
O5 K2A O4 120.4(6) . . ?
O4 K2A O4 117.3(3) 2_566 . ?
K2B K2A O4 52.8(3) 2_566 . ?
O6 K2A K2A 172.5(11) . 2_566 ?
O13 K2A K2A 66.4(3) . 2_566 ?
O8 K2A K2A 116.9(8) 1_455 2_566 ?
O5 K2A K2A 123.2(4) . 2_566 ?
O4 K2A K2A 61.6(5) 2_566 2_566 ?
K2B K2A K2A 5.2(5) 2_566 2_566 ?
O4 K2A K2A 55.7(3) . 2_566 ?
O6 K2A O13 124.1(4) . 2_566 ?
O13 K2A O13 117.7(3) . 2_566 ?
O8 K2A O13 111.8(6) 1_455 2_566 ?
O5 K2A O13 166.8(6) . 2_566 ?
O4 K2A O13 74.0(4) 2_566 2_566 ?
K2B K2A O13 55.5(6) 2_566 2_566 ?
O4 K2A O13 68.1(2) . 2_566 ?
K2A K2A O13 51.3(4) 2_566 2_566 ?
O6 K2A Sb2 34.03(14) . . ?
O13 K2A Sb2 90.7(3) . . ?
O8 K2A Sb2 34.46(13) 1_455 . ?
O5 K2A Sb2 34.80(13) . . ?
O4 K2A Sb2 87.8(3) 2_566 . ?
K2B K2A Sb2 144.14(13) 2_566 . ?
O4 K2A Sb2 149.0(7) . . ?
K2A K2A Sb2 144.3(5) 2_566 . ?
O13 K2A Sb2 140.7(5) 2_566 . ?
O6 K2A K1 91.6(2) . . ?
O13 K2A K1 133.1(4) . . ?
O8 K2A K1 132.4(3) 1_455 . ?
O5 K2A K1 139.4(5) . . ?
O4 K2A K1 126.2(5) 2_566 . ?
K2B K2A K1 90.1(3) 2_566 . ?
O4 K2A K1 55.11(17) . . ?
K2A K2A K1 89.0(4) 2_566 . ?
O13 K2A K1 53.26(17) 2_566 . ?
Sb2 K2A K1 125.6(2) . . ?
O6 K2A Sb3 89.3(3) . . ?
O13 K2A Sb3 31.59(13) . . ?
O8 K2A Sb3 66.8(2) 1_455 . ?
O5 K2A Sb3 30.13(12) . . ?
O4 K2A Sb3 74.88(19) 2_566 . ?
K2B K2A Sb3 90.1(4) 2_566 . ?
O4 K2A Sb3 107.5(3) . . ?
K2A K2A Sb3 93.1(3) 2_566 . ?
O13 K2A Sb3 141.1(4) 2_566 . ?
Sb2 K2A Sb3 59.36(17) . . ?
K1 K2A Sb3 156.1(6) . . ?
O6 K2B O4 116.1(5) . 2_566 ?
O6 K2B O8 58.0(2) . 1_455 ?
O4 K2B O8 58.3(3) 2_566 1_455 ?
O6 K2B O13 109.7(8) . . ?
O4 K2B O13 77.5(3) 2_566 . ?
O8 K2B O13 92.1(5) 1_455 . ?
O6 K2B K2B 170.0(17) . 2_566 ?
O4 K2B K2B 67.4(5) 2_566 2_566 ?
O8 K2B K2B 123.6(6) 1_455 2_566 ?
O13 K2B K2B 61.1(8) . 2_566 ?
O6 K2B O13 130.7(8) . 2_566 ?
O4 K2B O13 80.1(6) 2_566 2_566 ?
O8 K2B O13 121.0(9) 1_455 2_566 ?
O13 K2B O13 119.4(4) . 2_566 ?
K2B K2B O13 58.3(7) 2_566 2_566 ?
O6 K2B O5 56.3(4) . . ?
O4 K2B O5 92.2(4) 2_566 . ?
O8 K2B O5 56.5(3) 1_455 . ?
O13 K2B O5 54.5(4) . . ?
K2B K2B O5 115.2(12) 2_566 . ?
O13 K2B O5 171.4(4) 2_566 . ?
O6 K2B K2A 175.1(13) . 2_566 ?
O4 K2B K2A 64.4(4) 2_566 2_566 ?
O8 K2B K2A 121.8(4) 1_455 2_566 ?
O13 K2B K2A 65.5(5) . 2_566 ?
K2B K2B K2A 5.4(5) 2_566 2_566 ?
O13 K2B K2A 54.0(4) 2_566 2_566 ?
O5 K2B K2A 119.1(8) . 2_566 ?
O6 K2B O4 123.3(6) . . ?
O4 K2B O4 119.7(4) 2_566 . ?
O8 K2B O4 166.2(10) 1_455 . ?
O13 K2B O4 74.4(5) . . ?
K2B K2B O4 52.3(5) 2_566 . ?
O13 K2B O4 69.7(3) 2_566 . ?
O5 K2B O4 111.6(8) . . ?
K2A K2B O4 55.5(4) 2_566 . ?
O6 K2B Sb2 33.04(18) . . ?
O4 K2B Sb2 89.0(3) 2_566 . ?
O8 K2B Sb2 33.41(18) 1_455 . ?
O13 K2B Sb2 86.3(5) . . ?
K2B K2B Sb2 142.5(9) 2_566 . ?
O13 K2B Sb2 148.4(8) 2_566 . ?
O5 K2B Sb2 33.81(16) . . ?
K2A K2B Sb2 144.1(4) 2_566 . ?
O4 K2B Sb2 139.6(9) . . ?
O6 K2B K1 91.5(3) . . ?
O4 K2B K1 134.7(9) 2_566 . ?
O8 K2B K1 137.4(7) 1_455 . ?
O13 K2B K1 128.2(6) . . ?
K2B K2B K1 91.8(5) 2_566 . ?
O13 K2B K1 55.2(3) 2_566 . ?
O5 K2B K1 132.8(6) . . ?
K2A K2B K1 91.1(2) 2_566 . ?
O4 K2B K1 54.97(18) . . ?
Sb2 K2B K1 124.5(3) . . ?
O6 K2B Sb4 87.2(3) . 1_455 ?
O4 K2B Sb4 31.58(14) 2_566 1_455 ?
O8 K2B Sb4 30.05(13) 1_455 1_455 ?
O13 K2B Sb4 74.2(3) . 1_455 ?
K2B K2B Sb4 93.6(4) 2_566 1_455 ?
O13 K2B Sb4 109.1(6) 2_566 1_455 ?
O5 K2B Sb4 64.5(2) . 1_455 ?
K2A K2B Sb4 92.1(3) 2_566 1_455 ?
O4 K2B Sb4 142.1(4) . 1_455 ?
Sb2 K2B Sb4 57.62(16) . 1_455 ?
K1 K2B Sb4 156.0(9) . 1_455 ?
O11 K3 O10 143.74(13) 1_556 2_666 ?
O11 K3 O7 59.23(11) 1_556 1_556 ?
O10 K3 O7 121.87(12) 2_666 1_556 ?
O11 K3 O2 73.04(12) 1_556 1_546 ?
O10 K3 O2 139.73(12) 2_666 1_546 ?
O7 K3 O2 87.96(11) 1_556 1_546 ?
O11 K3 O3 148.76(12) 1_556 2_556 ?
O10 K3 O3 55.06(11) 2_666 2_556 ?
O7 K3 O3 143.13(12) 1_556 2_556 ?
O2 K3 O3 84.73(11) 1_546 2_556 ?
O11 K3 O12 117.60(11) 1_556 2_667 ?
O10 K3 O12 76.34(11) 2_666 2_667 ?
O7 K3 O12 58.39(10) 1_556 2_667 ?
O2 K3 O12 102.84(11) 1_546 2_667 ?
O3 K3 O12 88.18(11) 2_556 2_667 ?
O11 K3 O7 89.46(12) 1_556 2_666 ?
O10 K3 O7 54.37(10) 2_666 2_666 ?
O7 K3 O7 97.88(10) 1_556 2_666 ?
O2 K3 O7 155.47(12) 1_546 2_666 ?
O3 K3 O7 103.62(11) 2_556 2_666 ?
O12 K3 O7 100.47(11) 2_667 2_666 ?
O11 K3 B 86.90(14) 1_556 2_656 ?
O10 K3 B 118.54(13) 2_666 2_656 ?
O7 K3 B 113.30(13) 1_556 2_656 ?
O2 K3 B 25.34(12) 1_546 2_656 ?
O3 K3 B 64.96(13) 2_556 2_656 ?
O12 K3 B 115.71(13) 2_667 2_656 ?
O7 K3 B 140.79(13) 2_666 2_656 ?
O11 K3 O3 90.89(11) 1_556 1_556 ?
O10 K3 O3 120.40(11) 2_666 1_556 ?
O7 K3 O3 55.58(10) 1_556 1_556 ?
O2 K3 O3 52.21(10) 1_546 1_556 ?
O3 K3 O3 92.51(11) 2_556 1_556 ?
O12 K3 O3 51.56(10) 2_667 1_556 ?
O7 K3 O3 147.65(10) 2_666 1_556 ?
B K3 O3 71.49(12) 2_656 1_556 ?
O11 K3 B 19.23(12) 1_556 1_556 ?
O10 K3 B 129.45(13) 2_666 1_556 ?
O7 K3 B 76.63(12) 1_556 1_556 ?
O2 K3 B 80.12(12) 1_546 1_556 ?
O3 K3 B 136.80(12) 2_556 1_556 ?
O12 K3 B 134.56(12) 2_667 1_556 ?
O7 K3 B 78.13(12) 2_666 1_556 ?
B K3 B 86.28(14) 2_656 1_556 ?
O3 K3 B 108.80(11) 1_556 1_556 ?
O11 K3 K1 113.08(9) 1_556 . ?
O10 K3 K1 49.43(8) 2_666 . ?
O7 K3 K1 156.67(9) 1_556 . ?
O2 K3 K1 111.66(9) 1_546 . ?
O3 K3 K1 55.14(8) 2_556 . ?
O12 K3 K1 124.78(8) 2_667 . ?
O7 K3 K1 59.04(8) 2_666 . ?
B K3 K1 86.83(11) 2_656 . ?
O3 K3 K1 146.96(8) 1_556 . ?
B K3 K1 93.86(10) 1_556 . ?
O11 K3 Sb2 87.64(8) 1_556 1_556 ?
O10 K3 Sb2 108.65(9) 2_666 1_556 ?
O7 K3 Sb2 32.13(7) 1_556 1_556 ?
O2 K3 Sb2 81.72(8) 1_546 1_556 ?
O3 K3 Sb2 111.01(9) 2_556 1_556 ?
O12 K3 Sb2 32.78(7) 2_667 1_556 ?
O7 K3 Sb2 115.33(8) 2_666 1_556 ?
B K3 Sb2 103.52(11) 2_656 1_556 ?
O3 K3 Sb2 32.42(6) 1_556 1_556 ?
B K3 Sb2 106.49(9) 1_556 1_556 ?
K1 K3 Sb2 157.56(5) . 1_556 ?
O2 B O11 113.7(5) 2_665 . ?
O2 B O12 121.3(5) 2_665 2_766 ?
O11 B O12 124.6(5) . 2_766 ?
O2 B K3 63.6(3) 2_665 2_656 ?
O11 B K3 93.6(3) . 2_656 ?
O12 B K3 103.9(3) 2_766 2_656 ?
O2 B K3 78.0(3) 2_665 1_554 ?
O11 B K3 39.9(2) . 1_554 ?
O12 B K3 158.1(4) 2_766 1_554 ?
K3 B K3 93.72(14) 2_656 1_554 ?
Sb1 O1 Sb1 99.28(15) 2_666 1_545 ?
Sb1 O1 K1 152.71(18) 2_666 . ?
Sb1 O1 K1 107.95(15) 1_545 . ?
B O2 Sb3 144.5(3) 2_665 . ?
B O2 K3 91.0(3) 2_665 1_564 ?
Sb3 O2 K3 113.56(16) . 1_564 ?
Sb3 O3 Sb2 134.1(2) 1_545 . ?
Sb3 O3 K3 99.41(14) 1_545 2_556 ?
Sb2 O3 K3 126.44(16) . 2_556 ?
Sb3 O3 K1 91.05(13) 1_545 2_556 ?
Sb2 O3 K1 99.43(14) . 2_556 ?
K3 O3 K1 74.64(10) 2_556 2_556 ?
Sb3 O3 K3 99.04(14) 1_545 1_554 ?
Sb2 O3 K3 85.29(13) . 1_554 ?
K3 O3 K3 87.49(11) 2_556 1_554 ?
K1 O3 K3 160.74(14) 2_556 1_554 ?
Sb1 O4 Sb4 102.47(15) . 2_666 ?
Sb1 O4 K2B 120.0(6) . 2_566 ?
Sb4 O4 K2B 102.0(3) 2_666 2_566 ?
Sb1 O4 K2A 124.7(3) . 2_566 ?
Sb4 O4 K2A 99.7(2) 2_666 2_566 ?
K2B O4 K2A 4.7(5) 2_566 2_566 ?
Sb1 O4 K2A 110.4(3) . . ?
Sb4 O4 K2A 147.1(4) 2_666 . ?
K2B O4 K2A 62.8(3) 2_566 . ?
K2A O4 K2A 62.7(3) 2_566 . ?
Sb1 O4 K1 127.42(15) . . ?
Sb4 O4 K1 88.54(12) 2_666 . ?
K2B O4 K1 107.0(5) 2_566 . ?
K2A O4 K1 103.0(2) 2_566 . ?
K2A O4 K1 70.52(16) . . ?
Sb1 O4 K2B 115.4(5) . . ?
Sb4 O4 K2B 142.1(5) 2_666 . ?
K2B O4 K2B 60.3(4) 2_566 . ?
K2A O4 K2B 59.9(3) 2_566 . ?
K2A O4 K2B 5.0(4) . . ?
K1 O4 K2B 68.3(3) . . ?
Sb3 O5 Sb2 133.5(2) . . ?
Sb3 O5 K1 108.74(15) . 2_666 ?
Sb2 O5 K1 113.47(15) . 2_666 ?
Sb3 O5 K2A 101.9(2) . . ?
Sb2 O5 K2A 89.0(2) . . ?
K1 O5 K2A 100.4(4) 2_666 . ?
Sb3 O5 K2B 101.8(3) . . ?
Sb2 O5 K2B 86.1(4) . . ?
K1 O5 K2B 104.3(3) 2_666 . ?
K2A O5 K2B 4.1(4) . . ?
Sb1 O6 Sb2 126.02(18) 2_666 . ?
Sb1 O6 K2A 133.9(3) 2_666 . ?
Sb2 O6 K2A 100.1(2) . . ?
Sb1 O6 K2B 132.8(4) 2_666 . ?
Sb2 O6 K2B 101.0(3) . . ?
K2A O6 K2B 6.4(5) . . ?
Sb2 O7 Sb4 131.99(19) . . ?
Sb2 O7 K3 98.82(14) . 1_554 ?
Sb4 O7 K3 102.64(14) . 1_554 ?
Sb2 O7 K3 126.89(15) . 2_666 ?
Sb4 O7 K3 98.45(13) . 2_666 ?
K3 O7 K3 82.12(10) 1_554 2_666 ?
Sb2 O7 K1 95.73(13) . 2_666 ?
Sb4 O7 K1 85.55(12) . 2_666 ?
K3 O7 K1 151.06(14) 1_554 2_666 ?
K3 O7 K1 69.15(8) 2_666 2_666 ?
Sb4 O8 Sb2 129.30(19) . 1_655 ?
Sb4 O8 K1 110.27(15) . 2_656 ?
Sb2 O8 K1 109.91(15) 1_655 2_656 ?
Sb4 O8 K2B 104.0(3) . 1_655 ?
Sb2 O8 K2B 95.2(5) 1_655 1_655 ?
K1 O8 K2B 103.6(6) 2_656 1_655 ?
Sb4 O8 K2A 105.2(2) . 1_655 ?
Sb2 O8 K2A 90.1(4) 1_655 1_655 ?
K1 O8 K2A 108.2(3) 2_656 1_655 ?
K2B O8 K2A 5.8(5) 1_655 1_655 ?
Sb3 O9 Sb4 143.83(19) 1_545 . ?
Sb3 O9 Sb1 98.72(14) 1_545 2_666 ?
Sb4 O9 Sb1 97.81(14) . 2_666 ?
Sb3 O9 K1 103.64(13) 1_545 2_656 ?
Sb4 O9 K1 104.14(13) . 2_656 ?
Sb1 O9 K1 101.75(13) 2_666 2_656 ?
Sb3 O10 Sb4 138.9(2) 1_655 . ?
Sb3 O10 K3 105.14(15) 1_655 2_666 ?
Sb4 O10 K3 110.38(15) . 2_666 ?
Sb3 O10 K1 101.39(15) 1_655 2_666 ?
Sb4 O10 K1 103.36(15) . 2_666 ?
K3 O10 K1 81.96(11) 2_666 2_666 ?
B O11 Sb4 129.7(3) . . ?
B O11 K3 120.8(3) . 1_554 ?
Sb4 O11 K3 107.50(15) . 1_554 ?
B O12 Sb2 127.3(3) 2_766 2_666 ?
B O12 K3 113.8(3) 2_766 2_667 ?
Sb2 O12 K3 94.13(13) 2_666 2_667 ?
Sb1 O13 Sb3 102.86(15) 2_676 . ?
Sb1 O13 K2A 123.0(4) 2_676 . ?
Sb3 O13 K2A 102.1(2) . . ?
Sb1 O13 K2B 126.7(4) 2_676 . ?
Sb3 O13 K2B 102.9(3) . . ?
K2A O13 K2B 4.7(4) . . ?
Sb1 O13 K2B 109.2(4) 2_676 2_566 ?
Sb3 O13 K2B 147.6(4) . 2_566 ?
K2A O13 K2B 63.7(2) . 2_566 ?
K2B O13 K2B 60.6(4) . 2_566 ?
Sb1 O13 K1 123.31(16) 2_676 2_566 ?
Sb3 O13 K1 87.92(12) . 2_566 ?
K2A O13 K1 108.0(4) . 2_566 ?
K2B O13 K1 103.4(4) . 2_566 ?
K2B O13 K1 71.1(2) 2_566 2_566 ?
Sb1 O13 K2A 112.6(3) 2_676 2_566 ?
Sb3 O13 K2A 144.2(3) . 2_566 ?
K2A O13 K2A 62.3(3) . 2_566 ?
K2B O13 K2A 59.1(3) . 2_566 ?
K2B O13 K2A 3.4(4) 2_566 2_566 ?
K1 O13 K2A 69.2(2) 2_566 2_566 ?

_refine_diff_density_max         2.911
_refine_diff_density_min         -1.897
_refine_diff_density_rms         0.361

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1870996'
_audit_update_record             
;
2018-10-02 deposited with the CCDC.
2018-11-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B O13 Rb3 Sb4'
_chemical_formula_weight         962.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.1593(5)
_cell_length_b                   7.2533(5)
_cell_length_c                   13.4894(9)
_cell_angle_alpha                82.358(7)
_cell_angle_beta                 99.999(5)
_cell_angle_gamma                117.321(7)
_cell_volume                     611.75(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    295
_cell_measurement_reflns_used    11499
_cell_measurement_theta_min      1.536
_cell_measurement_theta_max      34.997

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    5.224
_exptl_crystal_F_000             848
_exptl_transmission_factor_min   0.2129
_exptl_transmission_factor_max   0.5973
_exptl_crystal_size_max          0.114
_exptl_crystal_size_mid          0.066
_exptl_crystal_size_min          0.056
_exptl_absorpt_coefficient_mu    20.665
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   Jana2006
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker-Nonius Kappa CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11499
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.536
_diffrn_reflns_theta_max         34.997
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5386
_reflns_number_gt                4572
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Collect (Nonius BV, 1998)'
_computing_cell_refinement       'Dirax/LSQ (Duisenberg et al., 2000)'
_computing_data_reduction        'EvalCCD (Duisenberg et al., 2003)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+7.4622P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00435(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5386
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.0712
_refine_ls_wR_factor_gt          0.0668
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_restrained_S_all      1.153
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.57357(5) 0.94081(5) 0.60714(2) 0.00482(6) Uani 1 1 d . . . . .
Sb2 Sb 0.17543(5) 0.28306(5) 0.20527(2) 0.00451(6) Uani 1 1 d . . . . .
Sb3 Sb 0.17033(5) 0.78002(5) 0.20868(2) 0.00434(6) Uani 1 1 d . . . . .
Sb4 Sb 0.68979(5) 0.29578(5) 0.21394(2) 0.00453(6) Uani 1 1 d . . . . .
Rb1 Rb 0.28155(9) 0.23104(9) 0.68658(4) 0.01441(11) Uani 1 1 d . . . . .
Rb2A Rb 0.129(3) 0.405(2) 0.4486(9) 0.0202(13) Uani 0.53(8) 1 d . . P . .
Rb2B Rb 0.104(3) 0.381(3) 0.4500(11) 0.0219(14) Uani 0.47(8) 1 d . . P . .
Rb3 Rb 0.32814(10) 0.22195(9) 0.95732(5) 0.01710(11) Uani 1 1 d . . . . .
O1 O 0.4075(6) 0.0891(6) 0.5330(3) 0.0084(6) Uani 1 1 d . . . . .
O2 O 0.2269(6) 0.8041(6) 0.0708(3) 0.0101(7) Uani 1 1 d . . . . .
O3 O 0.0723(6) -0.0064(6) 0.1710(3) 0.0097(7) Uani 1 1 d . . . . .
O4 O 0.3162(6) 0.6853(6) 0.6390(3) 0.0073(6) Uani 1 1 d . . . . .
O5 O 0.2766(6) 0.5727(6) 0.2426(3) 0.0093(7) Uani 1 1 d . . . . .
O6 O 0.2700(6) 0.2179(6) 0.3456(3) 0.0077(6) Uani 1 1 d . . . . .
O7 O 0.4559(6) 0.3708(6) 0.1617(3) 0.0086(6) Uani 1 1 d . . . . .
O8 O 0.9082(6) 0.2029(6) 0.2585(3) 0.0082(6) Uani 1 1 d . . . . .
O9 O 0.4706(6) 0.0023(6) 0.2512(3) 0.0060(6) Uani 1 1 d . . . . .
O10 O 0.8732(6) 0.5878(6) 0.1942(3) 0.0091(7) Uani 1 1 d . . . . .
O11 O 0.6842(6) 0.2317(7) 0.0774(3) 0.0105(7) Uani 1 1 d . . . . .
O12 O 0.9419(6) 0.6642(6) 0.9355(3) 0.0100(7) Uani 1 1 d . . . . .
O13 O 0.1722(6) 0.7985(6) 0.3583(3) 0.0078(6) Uani 1 1 d . . . . .
B1 B 0.8474(9) 0.2633(9) 0.0249(4) 0.0084(9) 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
Sb1 O6 1.930(4) 2_666 ?
Sb1 O1 1.966(4) 2_666 ?
Sb1 O13 1.971(4) 2_676 ?
Sb1 O4 1.985(4) . ?
Sb1 O1 2.011(4) 1_565 ?
Sb1 O9 2.112(3) 2_666 ?
Sb1 Sb1 3.0520(7) 2_676 ?
Sb1 Sb4 3.1358(5) 2_666 ?
Sb1 Sb3 3.1596(5) 2_676 ?
Sb1 Rb1 3.9203(6) 1_565 ?
Sb1 Rb2A 4.164(13) 2_666 ?
Sb1 Rb2B 4.174(14) 2_666 ?
Sb2 O8 1.965(4) 1_455 ?
Sb2 O6 1.969(4) . ?
Sb2 O3 1.971(4) . ?
Sb2 O7 1.980(4) . ?
Sb2 O5 1.987(4) . ?
Sb2 O12 2.001(4) 2_666 ?
Sb2 Rb2A 3.617(13) . ?
Sb2 Rb2B 3.635(15) . ?
Sb2 Rb3 3.8325(7) 1_554 ?
Sb2 Rb1 3.9685(8) 2_556 ?
Sb2 Rb1 4.0601(8) 2_666 ?
Sb2 Rb3 4.3004(8) 2_556 ?
Sb3 O10 1.927(4) 1_455 ?
Sb3 O2 1.940(4) . ?
Sb3 O5 1.948(4) . ?
Sb3 O3 1.953(4) 1_565 ?
Sb3 O13 2.038(4) . ?
Sb3 O9 2.046(4) 1_565 ?
Sb3 Rb1 3.7132(7) 2_566 ?
Sb3 Rb3 3.8647(7) 2_566 ?
Sb3 Rb2A 3.901(11) . ?
Sb3 Rb1 3.9668(7) 2_666 ?
Sb3 Rb2B 3.995(17) . ?
Sb4 O10 1.924(4) . ?
Sb4 O8 1.948(4) . ?
Sb4 O11 1.949(4) . ?
Sb4 O7 1.980(4) . ?
Sb4 O4 2.016(4) 2_666 ?
Sb4 O9 2.042(4) . ?
Sb4 Rb1 3.7556(7) 2_666 ?
Sb4 Rb2B 3.858(14) 1_655 ?
Sb4 Rb3 3.8836(7) 1_554 ?
Sb4 Rb2A 3.932(14) 1_655 ?
Sb4 Rb1 3.9629(7) 2_656 ?
Rb1 O10 2.839(4) 2_666 ?
Rb1 O8 2.847(4) 2_656 ?
Rb1 O5 2.851(4) 2_666 ?
Rb1 O1 2.870(4) . ?
Rb1 O9 2.929(4) 2_656 ?
Rb1 O13 3.111(4) 2_566 ?
Rb1 O3 3.136(4) 2_556 ?
Rb1 O4 3.174(4) . ?
Rb1 O7 3.364(4) 2_666 ?
Rb1 Rb2B 3.453(13) . ?
Rb1 Rb2A 3.472(11) . ?
Rb1 Rb3 3.6036(9) . ?
Rb2A O6 2.651(14) . ?
Rb2A O13 2.851(12) . ?
Rb2A O8 2.947(15) 1_455 ?
Rb2A O4 2.996(16) 2_566 ?
Rb2A O5 3.042(13) . ?
Rb2A O4 3.197(15) . ?
Rb2A Rb2B 3.287(4) 2_566 ?
Rb2A Rb2A 3.32(3) 2_566 ?
Rb2A O13 3.410(14) 2_566 ?
Rb2A O1 3.636(12) . ?
Rb2B O6 2.667(15) . ?
Rb2B O8 2.877(15) 1_455 ?
Rb2B O4 2.881(16) 2_566 ?
Rb2B O13 2.964(18) . ?
Rb2B O5 3.143(18) . ?
Rb2B Rb2B 3.27(3) 2_566 ?
Rb2B O4 3.278(16) . ?
Rb2B O13 3.288(18) 2_566 ?
Rb2B O1 3.635(14) . ?
Rb3 O11 2.749(4) 1_556 ?
Rb3 O10 2.865(4) 2_666 ?
Rb3 O3 2.922(4) 2_556 ?
Rb3 O7 2.935(4) 1_556 ?
Rb3 O7 3.017(4) 2_666 ?
Rb3 O2 3.032(4) 1_546 ?
Rb3 O12 3.044(4) 2_667 ?
Rb3 B1 3.138(6) 2_656 ?
Rb3 O11 3.344(4) 2_656 ?
Rb3 O2 3.364(4) 2_666 ?
Rb3 O3 3.491(4) 1_556 ?
Rb3 B1 3.552(6) 1_556 ?
O2 B1 1.372(7) 2_665 ?
O11 B1 1.384(6) . ?
O12 B1 1.380(7) 2_766 ?

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 Sb1 O1 89.96(15) 2_666 2_666 ?
O6 Sb1 O13 90.83(16) 2_666 2_676 ?
O1 Sb1 O13 103.18(16) 2_666 2_676 ?
O6 Sb1 O4 86.70(16) 2_666 . ?
O1 Sb1 O4 103.18(16) 2_666 . ?
O13 Sb1 O4 153.52(15) 2_676 . ?
O6 Sb1 O1 169.53(15) 2_666 1_565 ?
O1 Sb1 O1 79.76(16) 2_666 1_565 ?
O13 Sb1 O1 93.40(17) 2_676 1_565 ?
O4 Sb1 O1 93.70(16) . 1_565 ?
O6 Sb1 O9 98.24(15) 2_666 2_666 ?
O1 Sb1 O9 171.80(14) 2_666 2_666 ?
O13 Sb1 O9 76.77(14) 2_676 2_666 ?
O4 Sb1 O9 77.51(14) . 2_666 ?
O1 Sb1 O9 92.05(14) 1_565 2_666 ?
O6 Sb1 Sb1 130.36(11) 2_666 2_676 ?
O1 Sb1 Sb1 40.43(11) 2_666 2_676 ?
O13 Sb1 Sb1 100.72(11) 2_676 2_676 ?
O4 Sb1 Sb1 100.91(11) . 2_676 ?
O1 Sb1 Sb1 39.33(10) 1_565 2_676 ?
O9 Sb1 Sb1 131.38(10) 2_666 2_676 ?
O6 Sb1 Sb4 85.14(11) 2_666 2_666 ?
O1 Sb1 Sb4 141.75(12) 2_666 2_666 ?
O13 Sb1 Sb4 114.78(11) 2_676 2_666 ?
O4 Sb1 Sb4 38.74(10) . 2_666 ?
O1 Sb1 Sb4 101.71(11) 1_565 2_666 ?
O9 Sb1 Sb4 40.15(10) 2_666 2_666 ?
Sb1 Sb1 Sb4 129.750(18) 2_676 2_666 ?
O6 Sb1 Sb3 86.81(11) 2_666 2_676 ?
O1 Sb1 Sb3 141.62(12) 2_666 2_676 ?
O13 Sb1 Sb3 38.74(11) 2_676 2_676 ?
O4 Sb1 Sb3 114.78(11) . 2_676 ?
O1 Sb1 Sb3 102.45(11) 1_565 2_676 ?
O9 Sb1 Sb3 39.78(10) 2_666 2_676 ?
Sb1 Sb1 Sb3 130.307(18) 2_676 2_676 ?
Sb4 Sb1 Sb3 76.048(13) 2_666 2_676 ?
O6 Sb1 Rb1 145.42(11) 2_666 1_565 ?
O1 Sb1 Rb1 124.60(11) 2_666 1_565 ?
O13 Sb1 Rb1 82.85(11) 2_676 1_565 ?
O4 Sb1 Rb1 84.33(11) . 1_565 ?
O1 Sb1 Rb1 44.85(10) 1_565 1_565 ?
O9 Sb1 Rb1 47.20(10) 2_666 1_565 ?
Sb1 Sb1 Rb1 84.176(16) 2_676 1_565 ?
Sb4 Sb1 Rb1 67.277(13) 2_666 1_565 ?
Sb3 Sb1 Rb1 67.159(13) 2_676 1_565 ?
O6 Sb1 Rb2A 29.2(2) 2_666 2_666 ?
O1 Sb1 Rb2A 60.83(19) 2_666 2_666 ?
O13 Sb1 Rb2A 98.8(3) 2_676 2_666 ?
O4 Sb1 Rb2A 91.8(2) . 2_666 ?
O1 Sb1 Rb2A 140.41(19) 1_565 2_666 ?
O9 Sb1 Rb2A 127.37(19) 2_666 2_666 ?
Sb1 Sb1 Rb2A 101.18(16) 2_676 2_666 ?
Sb4 Sb1 Rb2A 106.87(17) 2_666 2_666 ?
Sb3 Sb1 Rb2A 110.6(2) 2_676 2_666 ?
Rb1 Sb1 Rb2A 173.95(16) 1_565 2_666 ?
O6 Sb1 Rb2B 29.4(2) 2_666 2_666 ?
O1 Sb1 Rb2B 60.5(2) 2_666 2_666 ?
O13 Sb1 Rb2B 96.4(3) 2_676 2_666 ?
O4 Sb1 Rb2B 94.4(3) . 2_666 ?
O1 Sb1 Rb2B 140.3(2) 1_565 2_666 ?
O9 Sb1 Rb2B 127.7(2) 2_666 2_666 ?
Sb1 Sb1 Rb2B 100.95(19) 2_676 2_666 ?
Sb4 Sb1 Rb2B 108.7(3) 2_666 2_666 ?
Sb3 Sb1 Rb2B 109.1(2) 2_676 2_666 ?
Rb1 Sb1 Rb2B 174.87(19) 1_565 2_666 ?
Rb2A Sb1 Rb2B 2.5(3) 2_666 2_666 ?
O8 Sb2 O6 83.19(15) 1_455 . ?
O8 Sb2 O3 89.50(16) 1_455 . ?
O6 Sb2 O3 91.38(16) . . ?
O8 Sb2 O7 175.72(16) 1_455 . ?
O6 Sb2 O7 93.09(16) . . ?
O3 Sb2 O7 92.72(16) . . ?
O8 Sb2 O5 89.54(16) 1_455 . ?
O6 Sb2 O5 87.74(16) . . ?
O3 Sb2 O5 178.77(17) . . ?
O7 Sb2 O5 88.19(16) . . ?
O8 Sb2 O12 93.07(15) 1_455 2_666 ?
O6 Sb2 O12 175.92(16) . 2_666 ?
O3 Sb2 O12 86.93(16) . 2_666 ?
O7 Sb2 O12 90.70(16) . 2_666 ?
O5 Sb2 O12 93.90(16) . 2_666 ?
O8 Sb2 Rb2A 54.5(3) 1_455 . ?
O6 Sb2 Rb2A 45.8(2) . . ?
O3 Sb2 Rb2A 121.5(2) . . ?
O7 Sb2 Rb2A 121.3(3) . . ?
O5 Sb2 Rb2A 57.3(2) . . ?
O12 Sb2 Rb2A 132.6(2) 2_666 . ?
O8 Sb2 Rb2B 52.0(3) 1_455 . ?
O6 Sb2 Rb2B 45.8(2) . . ?
O3 Sb2 Rb2B 119.1(3) . . ?
O7 Sb2 Rb2B 123.8(3) . . ?
O5 Sb2 Rb2B 59.7(3) . . ?
O12 Sb2 Rb2B 132.4(2) 2_666 . ?
Rb2A Sb2 Rb2B 2.9(4) . . ?
O8 Sb2 Rb3 135.45(11) 1_455 1_554 ?
O6 Sb2 Rb3 130.24(10) . 1_554 ?
O3 Sb2 Rb3 64.98(12) . 1_554 ?
O7 Sb2 Rb3 48.80(11) . 1_554 ?
O5 Sb2 Rb3 116.25(12) . 1_554 ?
O12 Sb2 Rb3 52.07(11) 2_666 1_554 ?
Rb2A Sb2 Rb3 169.9(3) . 1_554 ?
Rb2B Sb2 Rb3 172.5(3) . 1_554 ?
O8 Sb2 Rb1 42.46(11) 1_455 2_556 ?
O6 Sb2 Rb1 70.31(11) . 2_556 ?
O3 Sb2 Rb1 51.21(12) . 2_556 ?
O7 Sb2 Rb1 137.96(11) . 2_556 ?
O5 Sb2 Rb1 127.62(11) . 2_556 ?
O12 Sb2 Rb1 105.79(12) 2_666 2_556 ?
Rb2A Sb2 Rb1 74.5(2) . 2_556 ?
Rb2B Sb2 Rb1 71.7(3) . 2_556 ?
Rb3 Sb2 Rb1 114.068(16) 1_554 2_556 ?
O8 Sb2 Rb1 120.79(11) 1_455 2_666 ?
O6 Sb2 Rb1 69.32(11) . 2_666 ?
O3 Sb2 Rb1 139.99(11) . 2_666 ?
O7 Sb2 Rb1 55.57(11) . 2_666 ?
O5 Sb2 Rb1 40.30(10) . 2_666 ?
O12 Sb2 Rb1 114.22(12) 2_666 2_666 ?
Rb2A Sb2 Rb1 69.5(3) . 2_666 ?
Rb2B Sb2 Rb1 72.3(3) . 2_666 ?
Rb3 Sb2 Rb1 100.523(16) 1_554 2_666 ?
Rb1 Sb2 Rb1 138.047(19) 2_556 2_666 ?
O8 Sb2 Rb3 70.55(11) 1_455 2_556 ?
O6 Sb2 Rb3 117.02(11) . 2_556 ?
O3 Sb2 Rb3 35.28(11) . 2_556 ?
O7 Sb2 Rb3 113.21(11) . 2_556 ?
O5 Sb2 Rb3 144.80(11) . 2_556 ?
O12 Sb2 Rb3 59.89(12) 2_666 2_556 ?
Rb2A Sb2 Rb3 122.1(3) . 2_556 ?
Rb2B Sb2 Rb3 119.2(3) . 2_556 ?
Rb3 Sb2 Rb3 67.890(17) 1_554 2_556 ?
Rb1 Sb2 Rb3 51.482(14) 2_556 2_556 ?
Rb1 Sb2 Rb3 168.383(15) 2_666 2_556 ?
O10 Sb3 O2 99.93(17) 1_455 . ?
O10 Sb3 O5 96.79(16) 1_455 . ?
O2 Sb3 O5 89.85(17) . . ?
O10 Sb3 O3 84.83(16) 1_455 1_565 ?
O2 Sb3 O3 88.27(17) . 1_565 ?
O5 Sb3 O3 177.71(17) . 1_565 ?
O10 Sb3 O13 91.50(16) 1_455 . ?
O2 Sb3 O13 168.54(15) . . ?
O5 Sb3 O13 89.54(16) . . ?
O3 Sb3 O13 92.04(16) 1_565 . ?
O10 Sb3 O9 167.35(15) 1_455 1_565 ?
O2 Sb3 O9 91.71(15) . 1_565 ?
O5 Sb3 O9 88.11(15) . 1_565 ?
O3 Sb3 O9 90.63(15) 1_565 1_565 ?
O13 Sb3 O9 76.84(14) . 1_565 ?
O10 Sb3 Sb1 126.16(12) 1_455 2_676 ?
O2 Sb3 Sb1 131.65(12) . 2_676 ?
O5 Sb3 Sb1 97.49(12) . 2_676 ?
O3 Sb3 Sb1 82.80(11) 1_565 2_676 ?
O13 Sb3 Sb1 37.26(10) . 2_676 ?
O9 Sb3 Sb1 41.33(10) 1_565 2_676 ?
O10 Sb3 Rb1 48.71(11) 1_455 2_566 ?
O2 Sb3 Rb1 131.47(12) . 2_566 ?
O5 Sb3 Rb1 124.68(12) . 2_566 ?
O3 Sb3 Rb1 57.61(12) 1_565 2_566 ?
O13 Sb3 Rb1 56.92(11) . 2_566 ?
O9 Sb3 Rb1 119.22(10) 1_565 2_566 ?
Sb1 Sb3 Rb1 81.223(14) 2_676 2_566 ?
O10 Sb3 Rb3 45.50(12) 1_455 2_566 ?
O2 Sb3 Rb3 74.84(12) . 2_566 ?
O5 Sb3 Rb3 133.15(11) . 2_566 ?
O3 Sb3 Rb3 47.44(11) 1_565 2_566 ?
O13 Sb3 Rb3 113.48(11) . 2_566 ?
O9 Sb3 Rb3 135.24(10) 1_565 2_566 ?
Sb1 Sb3 Rb3 125.911(14) 2_676 2_566 ?
Rb1 Sb3 Rb3 56.747(15) 2_566 2_566 ?
O10 Sb3 Rb2A 77.7(3) 1_455 . ?
O2 Sb3 Rb2A 138.4(2) . . ?
O5 Sb3 Rb2A 50.1(2) . . ?
O3 Sb3 Rb2A 132.0(2) 1_565 . ?
O13 Sb3 Rb2A 45.0(2) . . ?
O9 Sb3 Rb2A 96.9(3) 1_565 . ?
Sb1 Sb3 Rb2A 72.9(2) 2_676 . ?
Rb1 Sb3 Rb2A 77.9(2) 2_566 . ?
Rb3 Sb3 Rb2A 121.7(2) 2_566 . ?
O10 Sb3 Rb1 138.05(11) 1_455 2_666 ?
O2 Sb3 Rb1 90.97(12) . 2_666 ?
O5 Sb3 Rb1 42.45(11) . 2_666 ?
O3 Sb3 Rb1 136.26(11) 1_565 2_666 ?
O13 Sb3 Rb1 80.90(11) . 2_666 ?
O9 Sb3 Rb1 45.67(10) 1_565 2_666 ?
Sb1 Sb3 Rb1 65.614(12) 2_676 2_666 ?
Rb1 Sb3 Rb1 137.537(19) 2_566 2_666 ?
Rb3 Sb3 Rb1 165.616(15) 2_566 2_666 ?
Rb2A Sb3 Rb1 67.8(2) . 2_666 ?
O10 Sb3 Rb2B 75.5(3) 1_455 . ?
O2 Sb3 Rb2B 138.1(2) . . ?
O5 Sb3 Rb2B 50.6(2) . . ?
O3 Sb3 Rb2B 131.6(2) 1_565 . ?
O13 Sb3 Rb2B 45.9(2) . . ?
O9 Sb3 Rb2B 99.2(3) 1_565 . ?
Sb1 Sb3 Rb2B 74.7(2) 2_676 . ?
Rb1 Sb3 Rb2B 76.7(2) 2_566 . ?
Rb3 Sb3 Rb2B 119.5(3) 2_566 . ?
Rb2A Sb3 Rb2B 2.3(4) . . ?
Rb1 Sb3 Rb2B 69.8(2) 2_666 . ?
O10 Sb4 O8 97.99(16) . . ?
O10 Sb4 O11 94.76(17) . . ?
O8 Sb4 O11 88.55(16) . . ?
O10 Sb4 O7 85.37(16) . . ?
O8 Sb4 O7 175.38(16) . . ?
O11 Sb4 O7 88.00(16) . . ?
O10 Sb4 O4 93.50(16) . 2_666 ?
O8 Sb4 O4 86.77(15) . 2_666 ?
O11 Sb4 O4 171.00(17) . 2_666 ?
O7 Sb4 O4 96.22(15) . 2_666 ?
O10 Sb4 O9 169.75(15) . . ?
O8 Sb4 O9 88.01(15) . . ?
O11 Sb4 O9 93.69(16) . . ?
O7 Sb4 O9 89.14(15) . . ?
O4 Sb4 O9 78.48(14) 2_666 . ?
O10 Sb4 Sb1 128.85(12) . 2_666 ?
O8 Sb4 Sb1 94.72(11) . 2_666 ?
O11 Sb4 Sb1 135.02(12) . 2_666 ?
O7 Sb4 Sb1 85.55(11) . 2_666 ?
O4 Sb4 Sb1 38.05(11) 2_666 2_666 ?
O9 Sb4 Sb1 41.83(10) . 2_666 ?
O10 Sb4 Rb1 47.57(12) . 2_666 ?
O8 Sb4 Rb1 121.44(12) . 2_666 ?
O11 Sb4 Rb1 131.18(13) . 2_666 ?
O7 Sb4 Rb1 63.18(11) . 2_666 ?
O4 Sb4 Rb1 57.68(11) 2_666 2_666 ?
O9 Sb4 Rb1 122.18(10) . 2_666 ?
Sb1 Sb4 Rb1 83.945(14) 2_666 2_666 ?
O10 Sb4 Rb2B 79.2(3) . 1_655 ?
O8 Sb4 Rb2B 46.2(2) . 1_655 ?
O11 Sb4 Rb2B 131.8(3) . 1_655 ?
O7 Sb4 Rb2B 138.0(2) . 1_655 ?
O4 Sb4 Rb2B 46.8(3) 2_666 1_655 ?
O9 Sb4 Rb2B 99.3(3) . 1_655 ?
Sb1 Sb4 Rb2B 74.8(3) 2_666 1_655 ?
Rb1 Sb4 Rb2B 77.9(2) 2_666 1_655 ?
O10 Sb4 Rb3 98.14(12) . 1_554 ?
O8 Sb4 Rb3 128.51(11) . 1_554 ?
O11 Sb4 Rb3 41.58(11) . 1_554 ?
O7 Sb4 Rb3 47.50(11) . 1_554 ?
O4 Sb4 Rb3 140.21(11) 2_666 1_554 ?
O9 Sb4 Rb3 84.40(10) . 1_554 ?
Sb1 Sb4 Rb3 111.620(16) 2_666 1_554 ?
Rb1 Sb4 Rb3 105.243(16) 2_666 1_554 ?
Rb2B Sb4 Rb3 173.0(3) 1_655 1_554 ?
O10 Sb4 Rb2A 76.9(2) . 1_655 ?
O8 Sb4 Rb2A 46.4(2) . 1_655 ?
O11 Sb4 Rb2A 130.7(2) . 1_655 ?
O7 Sb4 Rb2A 138.0(2) . 1_655 ?
O4 Sb4 Rb2A 48.3(2) 2_666 1_655 ?
O9 Sb4 Rb2A 101.8(2) . 1_655 ?
Sb1 Sb4 Rb2A 77.1(2) 2_666 1_655 ?
Rb1 Sb4 Rb2A 77.01(18) 2_666 1_655 ?
Rb2B Sb4 Rb2A 2.5(3) 1_655 1_655 ?
Rb3 Sb4 Rb2A 171.1(2) 1_554 1_655 ?
O10 Sb4 Rb1 140.27(11) . 2_656 ?
O8 Sb4 Rb1 42.43(11) . 2_656 ?
O11 Sb4 Rb1 88.53(12) . 2_656 ?
O7 Sb4 Rb1 134.35(11) . 2_656 ?
O4 Sb4 Rb1 82.83(11) 2_666 2_656 ?
O9 Sb4 Rb1 45.73(10) . 2_656 ?
Sb1 Sb4 Rb1 65.847(13) 2_666 2_656 ?
Rb1 Sb4 Rb1 139.994(19) 2_666 2_656 ?
Rb2B Sb4 Rb1 69.5(3) 1_655 2_656 ?
Rb3 Sb4 Rb1 109.869(16) 1_554 2_656 ?
Rb2A Sb4 Rb1 71.29(18) 1_655 2_656 ?
O10 Rb1 O8 106.12(11) 2_666 2_656 ?
O10 Rb1 O5 100.75(11) 2_666 2_666 ?
O8 Rb1 O5 112.10(11) 2_656 2_666 ?
O10 Rb1 O1 168.59(11) 2_666 . ?
O8 Rb1 O1 80.81(11) 2_656 . ?
O5 Rb1 O1 84.53(11) 2_666 . ?
O10 Rb1 O9 129.78(11) 2_666 2_656 ?
O8 Rb1 O9 57.35(10) 2_656 2_656 ?
O5 Rb1 O9 57.45(10) 2_666 2_656 ?
O1 Rb1 O9 61.56(10) . 2_656 ?
O10 Rb1 O13 56.82(10) 2_666 2_566 ?
O8 Rb1 O13 87.94(10) 2_656 2_566 ?
O5 Rb1 O13 154.40(10) 2_666 2_566 ?
O1 Rb1 O13 115.43(10) . 2_566 ?
O9 Rb1 O13 145.24(10) 2_656 2_566 ?
O10 Rb1 O3 51.67(10) 2_666 2_556 ?
O8 Rb1 O3 54.93(10) 2_656 2_556 ?
O5 Rb1 O3 123.66(11) 2_666 2_556 ?
O1 Rb1 O3 133.01(11) . 2_556 ?
O9 Rb1 O3 100.05(10) 2_656 2_556 ?
O13 Rb1 O3 54.75(10) 2_566 2_556 ?
O10 Rb1 O4 56.69(10) 2_666 . ?
O8 Rb1 O4 157.72(10) 2_656 . ?
O5 Rb1 O4 86.68(10) 2_666 . ?
O1 Rb1 O4 114.08(10) . . ?
O9 Rb1 O4 143.70(10) 2_656 . ?
O13 Rb1 O4 70.90(10) 2_566 . ?
O3 Rb1 O4 105.13(10) 2_556 . ?
O10 Rb1 O7 49.65(10) 2_666 2_666 ?
O8 Rb1 O7 128.36(10) 2_656 2_666 ?
O5 Rb1 O7 51.94(10) 2_666 2_666 ?
O1 Rb1 O7 132.69(10) . 2_666 ?
O9 Rb1 O7 100.35(10) 2_656 2_666 ?
O13 Rb1 O7 103.33(9) 2_566 2_666 ?
O3 Rb1 O7 91.10(10) 2_556 2_666 ?
O4 Rb1 O7 54.04(9) . 2_666 ?
O10 Rb1 Rb2B 99.2(3) 2_666 . ?
O8 Rb1 Rb2B 116.4(3) 2_656 . ?
O5 Rb1 Rb2B 119.0(4) 2_666 . ?
O1 Rb1 Rb2B 69.5(3) . . ?
O9 Rb1 Rb2B 131.0(3) 2_656 . ?
O13 Rb1 Rb2B 59.9(3) 2_566 . ?
O3 Rb1 Rb2B 113.9(3) 2_556 . ?
O4 Rb1 Rb2B 59.1(3) . . ?
O7 Rb1 Rb2B 112.6(3) 2_666 . ?
O10 Rb1 Rb2A 99.4(2) 2_666 . ?
O8 Rb1 Rb2A 119.1(3) 2_656 . ?
O5 Rb1 Rb2A 116.0(3) 2_666 . ?
O1 Rb1 Rb2A 69.2(2) . . ?
O9 Rb1 Rb2A 130.7(2) 2_656 . ?
O13 Rb1 Rb2A 62.1(3) 2_566 . ?
O3 Rb1 Rb2A 116.4(3) 2_556 . ?
O4 Rb1 Rb2A 57.3(2) . . ?
O7 Rb1 Rb2A 110.4(2) 2_666 . ?
Rb2B Rb1 Rb2A 3.0(4) . . ?
O10 Rb1 Rb3 51.15(8) 2_666 . ?
O8 Rb1 Rb3 77.72(8) 2_656 . ?
O5 Rb1 Rb3 73.31(8) 2_666 . ?
O1 Rb1 Rb3 140.21(8) . . ?
O9 Rb1 Rb3 78.65(7) 2_656 . ?
O13 Rb1 Rb3 96.92(7) 2_566 . ?
O3 Rb1 Rb3 50.81(7) 2_556 . ?
O4 Rb1 Rb3 97.48(7) . . ?
O7 Rb1 Rb3 51.18(7) 2_666 . ?
Rb2B Rb1 Rb3 150.3(2) . . ?
Rb2A Rb1 Rb3 150.4(2) . . ?
O6 Rb2A O13 113.5(5) . . ?
O6 Rb2A O8 55.3(3) . 1_455 ?
O13 Rb2A O8 91.4(3) . 1_455 ?
O6 Rb2A O4 109.1(5) . 2_566 ?
O13 Rb2A O4 77.1(3) . 2_566 ?
O8 Rb2A O4 54.5(3) 1_455 2_566 ?
O6 Rb2A O5 57.1(3) . . ?
O13 Rb2A O5 56.8(2) . . ?
O8 Rb2A O5 55.4(2) 1_455 . ?
O4 Rb2A O5 90.3(3) 2_566 . ?
O6 Rb2A O4 135.5(6) . . ?
O13 Rb2A O4 78.3(3) . . ?
O8 Rb2A O4 167.5(4) 1_455 . ?
O4 Rb2A O4 115.4(4) 2_566 . ?
O5 Rb2A O4 121.9(5) . . ?
O6 Rb2A Rb2B 171.6(5) . 2_566 ?
O13 Rb2A Rb2B 64.3(4) . 2_566 ?
O8 Rb2A Rb2B 116.3(4) 1_455 2_566 ?
O4 Rb2A Rb2B 62.7(4) 2_566 2_566 ?
O5 Rb2A Rb2B 119.4(3) . 2_566 ?
O4 Rb2A Rb2B 52.7(3) . 2_566 ?
O6 Rb2A Rb2A 169.7(9) . 2_566 ?
O13 Rb2A Rb2A 66.7(4) . 2_566 ?
O8 Rb2A Rb2A 114.7(7) 1_455 2_566 ?
O4 Rb2A Rb2A 60.6(5) 2_566 2_566 ?
O5 Rb2A Rb2A 121.0(5) . 2_566 ?
O4 Rb2A Rb2A 54.7(4) . 2_566 ?
Rb2B Rb2A Rb2A 3.2(4) 2_566 2_566 ?
O6 Rb2A O13 128.5(4) . 2_566 ?
O13 Rb2A O13 116.8(4) . 2_566 ?
O8 Rb2A O13 112.7(5) 1_455 2_566 ?
O4 Rb2A O13 73.1(3) 2_566 2_566 ?
O5 Rb2A O13 163.4(5) . 2_566 ?
O4 Rb2A O13 66.9(3) . 2_566 ?
Rb2B Rb2A O13 52.5(4) 2_566 2_566 ?
Rb2A Rb2A O13 50.1(4) 2_566 2_566 ?
O6 Rb2A Rb1 96.4(3) . . ?
O13 Rb2A Rb1 134.5(5) . . ?
O8 Rb2A Rb1 134.1(4) 1_455 . ?
O4 Rb2A Rb1 125.5(5) 2_566 . ?
O5 Rb2A Rb1 142.5(5) . . ?
O4 Rb2A Rb1 56.6(2) . . ?
Rb2B Rb2A Rb1 90.1(3) 2_566 . ?
Rb2A Rb2A Rb1 89.7(5) 2_566 . ?
O13 Rb2A Rb1 53.74(19) 2_566 . ?
O6 Rb2A Sb2 32.16(17) . . ?
O13 Rb2A Sb2 87.7(3) . . ?
O8 Rb2A Sb2 32.86(16) 1_455 . ?
O4 Rb2A Sb2 85.3(3) 2_566 . ?
O5 Rb2A Sb2 33.33(16) . . ?
O4 Rb2A Sb2 151.1(5) . . ?
Rb2B Rb2A Sb2 140.67(18) 2_566 . ?
Rb2A Rb2A Sb2 140.4(6) 2_566 . ?
O13 Rb2A Sb2 141.5(5) 2_566 . ?
Rb1 Rb2A Sb2 128.5(4) . . ?
O6 Rb2A O1 48.9(2) . . ?
O13 Rb2A O1 144.5(6) . . ?
O8 Rb2A O1 96.9(4) 1_455 . ?
O4 Rb2A O1 134.6(5) 2_566 . ?
O5 Rb2A O1 100.8(4) . . ?
O4 Rb2A O1 95.7(3) . . ?
Rb2B Rb2A O1 137.6(2) 2_566 . ?
Rb2A Rb2A O1 136.9(5) 2_566 . ?
O13 Rb2A O1 91.7(3) 2_566 . ?
Rb1 Rb2A O1 47.55(15) . . ?
Sb2 Rb2A O1 81.1(3) . . ?
O6 Rb2B O8 56.0(3) . 1_455 ?
O6 Rb2B O4 112.1(5) . 2_566 ?
O8 Rb2B O4 56.4(3) 1_455 2_566 ?
O6 Rb2B O13 109.5(6) . . ?
O8 Rb2B O13 90.5(4) 1_455 . ?
O4 Rb2B O13 77.2(3) 2_566 . ?
O6 Rb2B O5 55.6(3) . . ?
O8 Rb2B O5 54.9(3) 1_455 . ?
O4 Rb2B O5 90.5(4) 2_566 . ?
O13 Rb2B O5 54.7(3) . . ?
O6 Rb2B Rb2B 172.3(9) . 2_566 ?
O8 Rb2B Rb2B 119.0(7) 1_455 2_566 ?
O4 Rb2B Rb2B 64.1(5) 2_566 2_566 ?
O13 Rb2B Rb2B 63.5(5) . 2_566 ?
O5 Rb2B Rb2B 116.9(8) . 2_566 ?
O6 Rb2B O4 131.1(6) . . ?
O8 Rb2B O4 165.7(6) 1_455 . ?
O4 Rb2B O4 116.3(5) 2_566 . ?
O13 Rb2B O4 75.5(4) . . ?
O5 Rb2B O4 116.3(6) . . ?
Rb2B Rb2B O4 52.2(4) 2_566 . ?
O6 Rb2B Rb2A 172.8(3) . 2_566 ?
O8 Rb2B Rb2A 117.5(4) 1_455 2_566 ?
O4 Rb2B Rb2A 62.0(4) 2_566 2_566 ?
O13 Rb2B Rb2A 65.9(4) . 2_566 ?
O5 Rb2B Rb2A 118.8(5) . 2_566 ?
Rb2B Rb2B Rb2A 3.2(4) 2_566 2_566 ?
O4 Rb2B Rb2A 54.3(3) . 2_566 ?
O6 Rb2B O13 133.1(6) . 2_566 ?
O8 Rb2B O13 118.3(7) 1_455 2_566 ?
O4 Rb2B O13 76.4(4) 2_566 2_566 ?
O13 Rb2B O13 117.2(5) . 2_566 ?
O5 Rb2B O13 166.4(5) . 2_566 ?
Rb2B Rb2B O13 53.8(5) 2_566 2_566 ?
O4 Rb2B O13 67.5(3) . 2_566 ?
Rb2A Rb2B O13 51.4(3) 2_566 2_566 ?
O6 Rb2B Rb1 96.6(4) . . ?
O8 Rb2B Rb1 138.1(6) 1_455 . ?
O4 Rb2B Rb1 130.4(6) 2_566 . ?
O13 Rb2B Rb1 130.7(6) . . ?
O5 Rb2B Rb1 138.6(5) . . ?
Rb2B Rb2B Rb1 90.8(5) 2_566 . ?
O4 Rb2B Rb1 56.2(2) . . ?
Rb2A Rb2B Rb1 90.5(2) 2_566 . ?
O13 Rb2B Rb1 54.9(3) 2_566 . ?
O6 Rb2B O1 48.9(2) . . ?
O8 Rb2B O1 98.2(4) 1_455 . ?
O4 Rb2B O1 139.8(7) 2_566 . ?
O13 Rb2B O1 138.8(6) . . ?
O5 Rb2B O1 98.9(4) . . ?
Rb2B Rb2B O1 138.4(7) 2_566 . ?
O4 Rb2B O1 94.3(3) . . ?
Rb2A Rb2B O1 138.2(3) 2_566 . ?
O13 Rb2B O1 93.7(4) 2_566 . ?
Rb1 Rb2B O1 47.68(18) . . ?
O6 Rb2B Sb2 31.96(19) . . ?
O8 Rb2B Sb2 32.55(18) 1_455 . ?
O4 Rb2B Sb2 86.7(3) 2_566 . ?
O13 Rb2B Sb2 85.7(4) . . ?
O5 Rb2B Sb2 33.10(16) . . ?
Rb2B Rb2B Sb2 140.7(6) 2_566 . ?
O4 Rb2B Sb2 145.3(7) . . ?
Rb2A Rb2B Sb2 140.9(2) 2_566 . ?
O13 Rb2B Sb2 146.8(6) 2_566 . ?
Rb1 Rb2B Sb2 128.5(4) . . ?
O1 Rb2B Sb2 80.9(3) . . ?
O11 Rb3 O10 150.65(12) 1_556 2_666 ?
O11 Rb3 O3 151.79(12) 1_556 2_556 ?
O10 Rb3 O3 53.76(11) 2_666 2_556 ?
O11 Rb3 O7 57.29(10) 1_556 1_556 ?
O10 Rb3 O7 119.18(11) 2_666 1_556 ?
O3 Rb3 O7 136.08(11) 2_556 1_556 ?
O11 Rb3 O7 97.33(12) 1_556 2_666 ?
O10 Rb3 O7 53.42(10) 2_666 2_666 ?
O3 Rb3 O7 102.82(11) 2_556 2_666 ?
O7 Rb3 O7 99.50(10) 1_556 2_666 ?
O11 Rb3 O2 69.81(12) 1_556 1_546 ?
O10 Rb3 O2 139.27(11) 2_666 1_546 ?
O3 Rb3 O2 86.24(11) 2_556 1_546 ?
O7 Rb3 O2 82.70(11) 1_556 1_546 ?
O7 Rb3 O2 163.34(10) 2_666 1_546 ?
O11 Rb3 O12 113.51(11) 1_556 2_667 ?
O10 Rb3 O12 73.62(11) 2_666 2_667 ?
O3 Rb3 O12 82.91(11) 2_556 2_667 ?
O7 Rb3 O12 56.52(10) 1_556 2_667 ?
O7 Rb3 O12 98.59(10) 2_666 2_667 ?
O2 Rb3 O12 96.36(10) 1_546 2_667 ?
O11 Rb3 B1 86.10(14) 1_556 2_656 ?
O10 Rb3 B1 119.69(13) 2_666 2_656 ?
O3 Rb3 B1 66.48(13) 2_556 2_656 ?
O7 Rb3 B1 108.24(13) 1_556 2_656 ?
O7 Rb3 B1 148.74(13) 2_666 2_656 ?
O2 Rb3 B1 25.62(13) 1_546 2_656 ?
O12 Rb3 B1 108.51(13) 2_667 2_656 ?
O11 Rb3 O11 76.43(12) 1_556 2_656 ?
O10 Rb3 O11 120.88(10) 2_666 2_656 ?
O3 Rb3 O11 75.73(10) 2_556 2_656 ?
O7 Rb3 O11 118.32(10) 1_556 2_656 ?
O7 Rb3 O11 126.71(10) 2_666 2_656 ?
O2 Rb3 O11 41.55(10) 1_546 2_656 ?
O12 Rb3 O11 132.89(11) 2_667 2_656 ?
B1 Rb3 O11 24.39(12) 2_656 2_656 ?
O11 Rb3 O2 42.32(10) 1_556 2_666 ?
O10 Rb3 O2 122.65(11) 2_666 2_666 ?
O3 Rb3 O2 122.29(10) 2_556 2_666 ?
O7 Rb3 O2 98.30(10) 1_556 2_666 ?
O7 Rb3 O2 80.51(10) 2_666 2_666 ?
O2 Rb3 O2 82.84(10) 1_546 2_666 ?
O12 Rb3 O2 154.52(10) 2_667 2_666 ?
B1 Rb3 O2 81.48(12) 2_656 2_666 ?
O11 Rb3 O2 59.25(10) 2_656 2_666 ?
O11 Rb3 O3 85.29(10) 1_556 1_556 ?
O10 Rb3 O3 116.23(10) 2_666 1_556 ?
O3 Rb3 O3 89.85(10) 2_556 1_556 ?
O7 Rb3 O3 51.97(10) 1_556 1_556 ?
O7 Rb3 O3 143.75(10) 2_666 1_556 ?
O2 Rb3 O3 48.49(9) 1_546 1_556 ?
O12 Rb3 O3 48.86(10) 2_667 1_556 ?
B1 Rb3 O3 67.38(12) 2_656 1_556 ?
O11 Rb3 O3 89.17(9) 2_656 1_556 ?
O2 Rb3 O3 121.05(9) 2_666 1_556 ?
O11 Rb3 B1 20.79(12) 1_556 1_556 ?
O10 Rb3 B1 136.08(13) 2_666 1_556 ?
O3 Rb3 B1 143.39(12) 2_556 1_556 ?
O7 Rb3 B1 75.63(12) 1_556 1_556 ?
O7 Rb3 B1 84.63(12) 2_666 1_556 ?
O2 Rb3 B1 79.92(12) 1_546 1_556 ?
O12 Rb3 B1 132.00(12) 2_667 1_556 ?
B1 Rb3 B1 88.48(14) 2_656 1_556 ?
O11 Rb3 B1 71.43(12) 2_656 1_556 ?
O2 Rb3 B1 22.67(11) 2_666 1_556 ?
O3 Rb3 B1 105.22(11) 1_556 1_556 ?
Sb1 O1 Sb1 100.24(15) 2_666 1_545 ?
Sb1 O1 Rb1 154.21(18) 2_666 . ?
Sb1 O1 Rb1 105.53(14) 1_545 . ?
Sb1 O1 Rb2B 91.4(3) 2_666 . ?
Sb1 O1 Rb2B 168.3(3) 1_545 . ?
Rb1 O1 Rb2B 62.8(2) . . ?
Sb1 O1 Rb2A 91.0(2) 2_666 . ?
Sb1 O1 Rb2A 168.1(3) 1_545 . ?
Rb1 O1 Rb2A 63.2(2) . . ?
Rb2B O1 Rb2A 2.9(4) . . ?
B1 O2 Sb3 147.5(4) 2_665 . ?
B1 O2 Rb3 81.5(3) 2_665 1_564 ?
Sb3 O2 Rb3 116.29(16) . 1_564 ?
B1 O2 Rb3 86.4(3) 2_665 2_666 ?
Sb3 O2 Rb3 115.77(16) . 2_666 ?
Rb3 O2 Rb3 97.16(10) 1_564 2_666 ?
Sb3 O3 Sb2 135.1(2) 1_545 . ?
Sb3 O3 Rb3 103.07(15) 1_545 2_556 ?
Sb2 O3 Rb3 121.79(16) . 2_556 ?
Sb3 O3 Rb1 90.65(14) 1_545 2_556 ?
Sb2 O3 Rb1 99.45(15) . 2_556 ?
Rb3 O3 Rb1 72.91(9) 2_556 2_556 ?
Sb3 O3 Rb3 99.14(14) 1_545 1_554 ?
Sb2 O3 Rb3 84.24(13) . 1_554 ?
Rb3 O3 Rb3 90.15(10) 2_556 1_554 ?
Rb1 O3 Rb3 162.04(13) 2_556 1_554 ?
Sb1 O4 Sb4 103.21(17) . 2_666 ?
Sb1 O4 Rb2B 122.4(4) . 2_566 ?
Sb4 O4 Rb2B 102.5(3) 2_666 2_566 ?
Sb1 O4 Rb2A 125.2(3) . 2_566 ?
Sb4 O4 Rb2A 101.6(3) 2_666 2_566 ?
Rb2B O4 Rb2A 2.8(4) 2_566 2_566 ?
Sb1 O4 Rb1 126.17(16) . . ?
Sb4 O4 Rb1 89.86(13) 2_666 . ?
Rb2B O4 Rb1 104.4(4) 2_566 . ?
Rb2A O4 Rb1 101.8(3) 2_566 . ?
Sb1 O4 Rb2A 109.0(3) . . ?
Sb4 O4 Rb2A 147.1(3) 2_666 . ?
Rb2B O4 Rb2A 65.2(3) 2_566 . ?
Rb2A O4 Rb2A 64.6(4) 2_566 . ?
Rb1 O4 Rb2A 66.0(2) . . ?
Sb1 O4 Rb2B 111.9(4) . . ?
Sb4 O4 Rb2B 144.3(4) 2_666 . ?
Rb2B O4 Rb2B 63.7(5) 2_566 . ?
Rb2A O4 Rb2B 63.0(3) 2_566 . ?
Rb1 O4 Rb2B 64.7(3) . . ?
Rb2A O4 Rb2B 2.9(4) . . ?
Sb3 O5 Sb2 134.4(2) . . ?
Sb3 O5 Rb1 110.09(15) . 2_666 ?
Sb2 O5 Rb1 112.90(15) . 2_666 ?
Sb3 O5 Rb2A 100.5(3) . . ?
Sb2 O5 Rb2A 89.4(3) . . ?
Rb1 O5 Rb2A 96.2(3) 2_666 . ?
Sb3 O5 Rb2B 100.8(3) . . ?
Sb2 O5 Rb2B 87.2(3) . . ?
Rb1 O5 Rb2B 98.8(3) 2_666 . ?
Rb2A O5 Rb2B 2.9(5) . . ?
Sb1 O6 Sb2 127.95(19) 2_666 . ?
Sb1 O6 Rb2A 130.0(3) 2_666 . ?
Sb2 O6 Rb2A 102.0(3) . . ?
Sb1 O6 Rb2B 129.7(3) 2_666 . ?
Sb2 O6 Rb2B 102.2(3) . . ?
Rb2A O6 Rb2B 4.0(5) . . ?
Sb2 O7 Sb4 132.4(2) . . ?
Sb2 O7 Rb3 100.70(14) . 1_554 ?
Sb4 O7 Rb3 102.66(14) . 1_554 ?
Sb2 O7 Rb3 121.33(16) . 2_666 ?
Sb4 O7 Rb3 103.18(14) . 2_666 ?
Rb3 O7 Rb3 80.50(10) 1_554 2_666 ?
Sb2 O7 Rb1 95.39(13) . 2_666 ?
Sb4 O7 Rb1 85.12(12) . 2_666 ?
Rb3 O7 Rb1 149.02(14) 1_554 2_666 ?
Rb3 O7 Rb1 68.52(8) 2_666 2_666 ?
Sb4 O8 Sb2 129.8(2) . 1_655 ?
Sb4 O8 Rb1 110.08(16) . 2_656 ?
Sb2 O8 Rb1 109.77(15) 1_655 2_656 ?
Sb4 O8 Rb2B 104.5(3) . 1_655 ?
Sb2 O8 Rb2B 95.5(4) 1_655 1_655 ?
Rb1 O8 Rb2B 102.4(4) 2_656 1_655 ?
Sb4 O8 Rb2A 105.1(3) . 1_655 ?
Sb2 O8 Rb2A 92.7(3) 1_655 1_655 ?
Rb1 O8 Rb2A 105.1(3) 2_656 1_655 ?
Rb2B O8 Rb2A 3.4(5) 1_655 1_655 ?
Sb4 O9 Sb3 143.1(2) . 1_545 ?
Sb4 O9 Sb1 98.02(15) . 2_666 ?
Sb3 O9 Sb1 98.89(15) 1_545 2_666 ?
Sb4 O9 Rb1 104.32(13) . 2_656 ?
Sb3 O9 Rb1 104.35(14) 1_545 2_656 ?
Sb1 O9 Rb1 100.86(13) 2_666 2_656 ?
Sb4 O10 Sb3 140.1(2) . 1_655 ?
Sb4 O10 Rb1 102.41(15) . 2_666 ?
Sb3 O10 Rb1 100.63(15) 1_655 2_666 ?
Sb4 O10 Rb3 110.39(15) . 2_666 ?
Sb3 O10 Rb3 105.84(16) 1_655 2_666 ?
Rb1 O10 Rb3 78.37(10) 2_666 2_666 ?
B1 O11 Sb4 130.7(3) . . ?
B1 O11 Rb3 114.4(3) . 1_554 ?
Sb4 O11 Rb3 110.36(15) . 1_554 ?
B1 O11 Rb3 69.4(3) . 2_656 ?
Sb4 O11 Rb3 118.60(17) . 2_656 ?
Rb3 O11 Rb3 103.57(12) 1_554 2_656 ?
B1 O12 Sb2 127.3(3) 2_766 2_666 ?
B1 O12 Rb3 116.2(3) 2_766 2_667 ?
Sb2 O12 Rb3 96.68(14) 2_666 2_667 ?
Sb1 O13 Sb3 104.00(16) 2_676 . ?
Sb1 O13 Rb2A 121.9(4) 2_676 . ?
Sb3 O13 Rb2A 104.6(3) . . ?
Sb1 O13 Rb2B 124.5(4) 2_676 . ?
Sb3 O13 Rb2B 104.5(3) . . ?
Rb2A O13 Rb2B 2.9(5) . . ?
Sb1 O13 Rb1 122.69(16) 2_676 2_566 ?
Sb3 O13 Rb1 89.80(13) . 2_566 ?
Rb2A O13 Rb1 106.8(3) . 2_566 ?
Rb2B O13 Rb1 103.9(4) . 2_566 ?
Sb1 O13 Rb2B 109.3(3) 2_676 2_566 ?
Sb3 O13 Rb2B 145.6(3) . 2_566 ?
Rb2A O13 Rb2B 64.3(2) . 2_566 ?
Rb2B O13 Rb2B 62.8(5) . 2_566 ?
Rb1 O13 Rb2B 65.2(2) 2_566 2_566 ?
Sb1 O13 Rb2A 111.7(3) 2_676 2_566 ?
Sb3 O13 Rb2A 143.3(3) . 2_566 ?
Rb2A O13 Rb2A 63.2(4) . 2_566 ?
Rb2B O13 Rb2A 61.6(2) . 2_566 ?
Rb1 O13 Rb2A 64.2(2) 2_566 2_566 ?
Rb2B O13 Rb2A 2.4(4) 2_566 2_566 ?
O2 B1 O12 122.6(5) 2_665 2_766 ?
O2 B1 O11 111.7(5) 2_665 . ?
O12 B1 O11 125.5(5) 2_766 . ?
O2 B1 Rb3 72.9(3) 2_665 2_656 ?
O12 B1 Rb3 104.1(3) 2_766 2_656 ?
O11 B1 Rb3 86.2(3) . 2_656 ?
O2 B1 Rb3 71.0(3) 2_665 1_554 ?
O12 B1 Rb3 161.6(4) 2_766 1_554 ?
O11 B1 Rb3 44.8(2) . 1_554 ?
Rb3 B1 Rb3 91.52(14) 2_656 1_554 ?

_refine_diff_density_max         1.923
_refine_diff_density_min         -1.897
_refine_diff_density_rms         0.373

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1870995'
_audit_update_record             
;
2018-10-02 deposited with the CCDC.
2018-11-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B K0.99 O13 Rb2.01 Sb4'
_chemical_formula_weight         916.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.1456(5)
_cell_length_b                   7.2390(8)
_cell_length_c                   13.4113(7)
_cell_angle_alpha                82.058(7)
_cell_angle_beta                 100.051(6)
_cell_angle_gamma                117.205(5)
_cell_volume                     606.16(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    295
_cell_measurement_reflns_used    13100
_cell_measurement_theta_min      1.545
_cell_measurement_theta_max      34.997

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    5.020
_exptl_crystal_F_000             812
_exptl_transmission_factor_min   0.252
_exptl_transmission_factor_max   0.5261
_exptl_crystal_size_max          0.151
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.082
_exptl_absorpt_coefficient_mu    17.246
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   Jana2006
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker-Nonius Kappa CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13089
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.545
_diffrn_reflns_theta_max         34.997
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5325
_reflns_number_gt                4682
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Collect (Nonius BV, 1998)'
_computing_cell_refinement       'Dirax/LSQ (Duisenberg et al., 2000)'
_computing_data_reduction        'EvalCCD (Duisenberg et al., 2003)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0134P)²+7.2741P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0099(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5325
_refine_ls_number_parameters     206
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0338
_refine_ls_wR_factor_ref         0.0777
_refine_ls_wR_factor_gt          0.0748
_refine_ls_goodness_of_fit_ref   1.217
_refine_ls_restrained_S_all      1.217
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.57542(5) 0.93869(5) 0.60677(2) 0.00529(7) Uani 1 1 d . . . . .
Sb2 Sb 0.17324(5) 0.28711(5) 0.20538(2) 0.00487(6) Uani 1 1 d . . . . .
Sb3 Sb 0.16836(5) 0.78385(5) 0.20888(2) 0.00486(6) Uani 1 1 d . . . . .
Sb4 Sb 0.68752(5) 0.30054(5) 0.21335(2) 0.00499(7) Uani 1 1 d . . . . .
K1 K 0.28535(12) 0.22715(12) 0.68908(6) 0.0173(2) Uani 0.436(6) 1 d . . P . .
Rb1 Rb 0.28535(12) 0.22715(12) 0.68908(6) 0.0173(2) Uani 0.564(6) 1 d . . P . .
K2A K 0.1301(19) 0.4053(15) 0.4484(7) 0.0225(13) Uani 0.026(3) 1 d . . P . .
Rb2A Rb 0.1301(19) 0.4053(15) 0.4484(7) 0.0225(13) Uani 0.364(3) 1 d . . P . .
K2B K 0.1028(13) 0.3814(12) 0.4535(5) 0.0241(11) Uani 0.152(3) 1 d . . P . .
Rb2B Rb 0.1028(13) 0.3814(12) 0.4535(5) 0.0241(11) Uani 0.458(3) 1 d . . P . .
K3 K 0.32225(12) 0.21992(12) 0.96016(6) 0.0192(2) Uani 0.371(6) 1 d . . P . .
Rb3 Rb 0.32225(12) 0.21992(12) 0.96016(6) 0.0192(2) Uani 0.629(6) 1 d . . P . .
O1 O 0.4078(6) 0.0879(6) 0.5345(3) 0.0104(6) Uani 1 1 d . . . . .
O2 O 0.2268(6) 0.8098(6) 0.0702(3) 0.0114(7) Uani 1 1 d . . . . .
O3 O 0.0708(6) -0.0006(5) 0.1700(3) 0.0086(6) Uani 1 1 d . . . . .
O4 O 0.3192(6) 0.6818(6) 0.6390(3) 0.0081(6) Uani 1 1 d . . . . .
O5 O 0.2740(6) 0.5756(6) 0.2437(3) 0.0095(6) Uani 1 1 d . . . . .
O6 O 0.2668(6) 0.2200(6) 0.3461(3) 0.0095(6) Uani 1 1 d . . . . .
O7 O 0.4527(5) 0.3751(6) 0.1606(3) 0.0081(6) Uani 1 1 d . . . . .
O8 O 0.9039(6) 0.2047(6) 0.2583(3) 0.0100(6) Uani 1 1 d . . . . .
O9 O 0.4688(5) 0.0060(5) 0.2507(3) 0.0066(6) Uani 1 1 d . . . . .
O10 O 0.8717(6) 0.5931(6) 0.1942(3) 0.0096(6) Uani 1 1 d . . . . .
O11 O 0.6819(6) 0.2392(7) 0.0755(3) 0.0123(7) Uani 1 1 d . . . . .
O12 O 0.9429(6) 0.6579(6) 0.9357(3) 0.0095(6) Uani 1 1 d . . . . .
O13 O 0.1686(6) 0.8004(5) 0.3589(3) 0.0072(6) Uani 1 1 d . . . . .
B1 B 0.8454(9) 0.2676(8) 0.0236(4) 0.0079(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
Sb1 O6 1.930(4) 2_666 ?
Sb1 O1 1.961(4) 2_666 ?
Sb1 O13 1.978(4) 2_676 ?
Sb1 O4 1.985(4) . ?
Sb1 O1 2.007(4) 1_565 ?
Sb1 O9 2.109(4) 2_666 ?
Sb1 Sb1 3.0408(6) 2_676 ?
Sb1 Sb4 3.1306(5) 2_666 ?
Sb1 Sb3 3.1509(5) 2_676 ?
Sb1 K1 3.9075(8) 1_565 ?
Sb1 K2A 4.126(9) 2_666 ?
Sb1 K2B 4.165(7) 2_666 ?
Sb2 O6 1.961(4) . ?
Sb2 O3 1.964(4) . ?
Sb2 O8 1.968(4) 1_455 ?
Sb2 O7 1.975(3) . ?
Sb2 O5 1.984(4) . ?
Sb2 O12 1.993(4) 2_666 ?
Sb2 K2A 3.580(10) . ?
Sb2 K2B 3.649(7) . ?
Sb2 K3 3.7847(9) 1_554 ?
Sb2 K1 3.9508(9) 2_556 ?
Sb3 O10 1.922(4) 1_455 ?
Sb3 O2 1.942(4) . ?
Sb3 O5 1.945(4) . ?
Sb3 O3 1.958(3) 1_565 ?
Sb3 O13 2.032(4) . ?
Sb3 O9 2.045(4) 1_565 ?
Sb3 K1 3.6976(8) 2_566 ?
Sb3 K3 3.8191(9) 2_566 ?
Sb3 K2A 3.885(10) . ?
Sb3 K1 3.9378(9) 2_666 ?
Sb4 O10 1.924(4) . ?
Sb4 O8 1.943(4) . ?
Sb4 O11 1.949(4) . ?
Sb4 O7 1.979(3) . ?
Sb4 O4 2.011(4) 2_666 ?
Sb4 O9 2.042(3) . ?
Sb4 K1 3.7391(9) 2_666 ?
Sb4 K3 3.8399(9) 1_554 ?
Sb4 K2B 3.888(6) 1_655 ?
Sb4 K3 3.9247(9) 2_666 ?
Sb4 K2A 3.938(10) 1_655 ?
K1 O10 2.813(4) 2_666 ?
K1 O8 2.821(4) 2_656 ?
K1 O5 2.832(4) 2_666 ?
K1 O1 2.845(4) . ?
K1 O9 2.903(4) 2_656 ?
K1 O13 3.113(4) 2_566 ?
K1 O3 3.121(4) 2_556 ?
K1 O4 3.171(4) . ?
K1 O7 3.349(4) 2_666 ?
K1 K2B 3.442(6) . ?
K1 K2A 3.495(9) . ?
K2A O6 2.610(10) . ?
K2A O13 2.854(10) . ?
K2A O8 2.943(10) 1_455 ?
K2A O5 3.001(12) . ?
K2A O4 3.020(11) 2_566 ?
K2A O4 3.178(10) . ?
K2A K2B 3.249(3) 2_566 ?
K2A K2A 3.317(19) 2_566 ?
K2A O13 3.377(12) 2_566 ?
K2B O6 2.669(8) . ?
K2B O4 2.903(8) 2_566 ?
K2B O8 2.911(7) 1_455 ?
K2B O13 2.978(8) . ?
K2B O5 3.150(9) . ?
K2B K2B 3.193(14) 2_566 ?
K2B O13 3.206(9) 2_566 ?
K2B O4 3.223(7) . ?
K3 O11 2.714(4) 1_556 ?
K3 O10 2.824(4) 2_666 ?
K3 O7 2.891(4) 1_556 ?
K3 O3 2.904(4) 2_556 ?
K3 O2 2.957(4) 1_546 ?
K3 O7 3.015(4) 2_666 ?
K3 O12 3.020(4) 2_667 ?
K3 B1 3.154(6) 2_656 ?
K3 O3 3.406(4) 1_556 ?
K3 O11 3.409(4) 2_656 ?
K3 O2 3.423(4) 2_666 ?
K3 B1 3.551(6) 1_556 ?
O2 B1 1.366(7) 2_665 ?
O11 B1 1.385(6) . ?
O12 B1 1.387(7) 2_766 ?

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 Sb1 O1 90.55(15) 2_666 2_666 ?
O6 Sb1 O13 90.43(16) 2_666 2_676 ?
O1 Sb1 O13 102.96(16) 2_666 2_676 ?
O6 Sb1 O4 86.58(16) 2_666 . ?
O1 Sb1 O4 103.08(16) 2_666 . ?
O13 Sb1 O4 153.81(15) 2_676 . ?
O6 Sb1 O1 170.30(16) 2_666 1_565 ?
O1 Sb1 O1 79.94(16) 2_666 1_565 ?
O13 Sb1 O1 93.55(16) 2_676 1_565 ?
O4 Sb1 O1 93.66(16) . 1_565 ?
O6 Sb1 O9 98.33(15) 2_666 2_666 ?
O1 Sb1 O9 171.12(14) 2_666 2_666 ?
O13 Sb1 O9 77.05(14) 2_676 2_666 ?
O4 Sb1 O9 77.66(14) . 2_666 ?
O1 Sb1 O9 91.18(14) 1_565 2_666 ?
O6 Sb1 Sb1 131.06(11) 2_666 2_676 ?
O1 Sb1 Sb1 40.53(11) 2_666 2_676 ?
O13 Sb1 Sb1 100.69(11) 2_676 2_676 ?
O4 Sb1 Sb1 100.84(11) . 2_676 ?
O1 Sb1 Sb1 39.41(11) 1_565 2_676 ?
O9 Sb1 Sb1 130.59(10) 2_666 2_676 ?
O6 Sb1 Sb4 85.25(11) 2_666 2_666 ?
O1 Sb1 Sb4 141.70(12) 2_666 2_666 ?
O13 Sb1 Sb4 115.10(10) 2_676 2_666 ?
O4 Sb1 Sb4 38.73(11) . 2_666 ?
O1 Sb1 Sb4 101.00(11) 1_565 2_666 ?
O9 Sb1 Sb4 40.26(10) 2_666 2_666 ?
Sb1 Sb1 Sb4 129.194(18) 2_676 2_666 ?
O6 Sb1 Sb3 86.78(12) 2_666 2_676 ?
O1 Sb1 Sb3 141.56(12) 2_666 2_676 ?
O13 Sb1 Sb3 38.81(10) 2_676 2_676 ?
O4 Sb1 Sb3 115.00(11) . 2_676 ?
O1 Sb1 Sb3 101.83(12) 1_565 2_676 ?
O9 Sb1 Sb3 39.91(10) 2_666 2_676 ?
Sb1 Sb1 Sb3 129.820(18) 2_676 2_676 ?
Sb4 Sb1 Sb3 76.289(12) 2_666 2_676 ?
O6 Sb1 K1 145.08(11) 2_666 1_565 ?
O1 Sb1 K1 124.36(11) 2_666 1_565 ?
O13 Sb1 K1 83.03(10) 2_676 1_565 ?
O4 Sb1 K1 84.64(11) . 1_565 ?
O1 Sb1 K1 44.42(11) 1_565 1_565 ?
O9 Sb1 K1 46.77(9) 2_666 1_565 ?
Sb1 Sb1 K1 83.830(18) 2_676 1_565 ?
Sb4 Sb1 K1 67.101(15) 2_666 1_565 ?
Sb3 Sb1 K1 66.827(16) 2_676 1_565 ?
O6 Sb1 K2A 28.97(17) 2_666 2_666 ?
O1 Sb1 K2A 61.66(17) 2_666 2_666 ?
O13 Sb1 K2A 98.55(19) 2_676 2_666 ?
O4 Sb1 K2A 91.3(2) . 2_666 ?
O1 Sb1 K2A 141.40(17) 1_565 2_666 ?
O9 Sb1 K2A 127.21(16) 2_666 2_666 ?
Sb1 Sb1 K2A 102.11(13) 2_676 2_666 ?
Sb4 Sb1 K2A 106.56(16) 2_666 2_666 ?
Sb3 Sb1 K2A 110.51(14) 2_676 2_666 ?
K1 Sb1 K2A 173.39(15) 1_565 2_666 ?
O6 Sb1 K2B 29.79(14) 2_666 2_666 ?
O1 Sb1 K2B 60.77(14) 2_666 2_666 ?
O13 Sb1 K2B 96.09(15) 2_676 2_666 ?
O4 Sb1 K2B 94.14(16) . 2_666 ?
O1 Sb1 K2B 140.70(14) 1_565 2_666 ?
O9 Sb1 K2B 128.11(13) 2_666 2_666 ?
Sb1 Sb1 K2B 101.29(9) 2_676 2_666 ?
Sb4 Sb1 K2B 108.97(11) 2_666 2_666 ?
Sb3 Sb1 K2B 109.42(9) 2_676 2_666 ?
K1 Sb1 K2B 174.87(9) 1_565 2_666 ?
K2A Sb1 K2B 2.8(3) 2_666 2_666 ?
O6 Sb2 O3 91.68(16) . . ?
O6 Sb2 O8 83.36(15) . 1_455 ?
O3 Sb2 O8 89.26(16) . 1_455 ?
O6 Sb2 O7 93.55(15) . . ?
O3 Sb2 O7 92.52(16) . . ?
O8 Sb2 O7 176.49(16) 1_455 . ?
O6 Sb2 O5 87.48(16) . . ?
O3 Sb2 O5 178.81(16) . . ?
O8 Sb2 O5 89.80(16) 1_455 . ?
O7 Sb2 O5 88.38(16) . . ?
O6 Sb2 O12 175.93(15) . 2_666 ?
O3 Sb2 O12 86.68(16) . 2_666 ?
O8 Sb2 O12 92.89(15) 1_455 2_666 ?
O7 Sb2 O12 90.24(15) . 2_666 ?
O5 Sb2 O12 94.10(16) . 2_666 ?
O6 Sb2 K2A 45.46(17) . . ?
O3 Sb2 K2A 121.9(2) . . ?
O8 Sb2 K2A 55.3(2) 1_455 . ?
O7 Sb2 K2A 121.3(2) . . ?
O5 Sb2 K2A 57.0(2) . . ?
O12 Sb2 K2A 132.98(18) 2_666 . ?
O6 Sb2 K2B 45.44(15) . . ?
O3 Sb2 K2B 119.24(17) . . ?
O8 Sb2 K2B 52.62(18) 1_455 . ?
O7 Sb2 K2B 123.90(17) . . ?
O5 Sb2 K2B 59.59(17) . . ?
O12 Sb2 K2B 132.72(15) 2_666 . ?
K2A Sb2 K2B 3.1(3) . . ?
O6 Sb2 K3 129.74(11) . 1_554 ?
O3 Sb2 K3 63.73(11) . 1_554 ?
O8 Sb2 K3 134.76(12) 1_455 1_554 ?
O7 Sb2 K3 48.72(12) . 1_554 ?
O5 Sb2 K3 117.45(11) . 1_554 ?
O12 Sb2 K3 52.54(11) 2_666 1_554 ?
K2A Sb2 K3 169.93(19) . 1_554 ?
K2B Sb2 K3 172.59(13) . 1_554 ?
O6 Sb2 K1 70.81(12) . 2_556 ?
O3 Sb2 K1 51.19(11) . 2_556 ?
O8 Sb2 K1 42.17(11) 1_455 2_556 ?
O7 Sb2 K1 138.16(11) . 2_556 ?
O5 Sb2 K1 127.68(11) . 2_556 ?
O12 Sb2 K1 105.33(11) 2_666 2_556 ?
K2A Sb2 K1 75.15(19) . 2_556 ?
K2B Sb2 K1 72.10(13) . 2_556 ?
K3 Sb2 K1 112.81(2) 1_554 2_556 ?
O10 Sb3 O2 100.12(17) 1_455 . ?
O10 Sb3 O5 96.82(16) 1_455 . ?
O2 Sb3 O5 90.06(17) . . ?
O10 Sb3 O3 84.84(16) 1_455 1_565 ?
O2 Sb3 O3 88.03(17) . 1_565 ?
O5 Sb3 O3 177.67(16) . 1_565 ?
O10 Sb3 O13 91.33(15) 1_455 . ?
O2 Sb3 O13 168.51(15) . . ?
O5 Sb3 O13 89.37(16) . . ?
O3 Sb3 O13 92.23(15) 1_565 . ?
O10 Sb3 O9 167.59(15) 1_455 1_565 ?
O2 Sb3 O9 91.15(15) . 1_565 ?
O5 Sb3 O9 88.26(15) . 1_565 ?
O3 Sb3 O9 90.44(15) 1_565 1_565 ?
O13 Sb3 O9 77.36(14) . 1_565 ?
O10 Sb3 Sb1 126.35(12) 1_455 2_676 ?
O2 Sb3 Sb1 131.25(12) . 2_676 ?
O5 Sb3 Sb1 97.34(12) . 2_676 ?
O3 Sb3 Sb1 82.93(11) 1_565 2_676 ?
O13 Sb3 Sb1 37.61(10) . 2_676 ?
O9 Sb3 Sb1 41.44(10) 1_565 2_676 ?
O10 Sb3 K1 48.32(12) 1_455 2_566 ?
O2 Sb3 K1 131.05(12) . 2_566 ?
O5 Sb3 K1 124.76(11) . 2_566 ?
O3 Sb3 K1 57.57(11) 1_565 2_566 ?
O13 Sb3 K1 57.33(10) . 2_566 ?
O9 Sb3 K1 119.78(10) 1_565 2_566 ?
Sb1 Sb3 K1 81.881(17) 2_676 2_566 ?
O10 Sb3 K3 45.43(11) 1_455 2_566 ?
O2 Sb3 K3 74.11(12) . 2_566 ?
O5 Sb3 K3 132.47(12) . 2_566 ?
O3 Sb3 K3 48.11(11) 1_565 2_566 ?
O13 Sb3 K3 114.28(10) . 2_566 ?
O9 Sb3 K3 135.30(10) 1_565 2_566 ?
Sb1 Sb3 K3 126.974(17) 2_676 2_566 ?
K1 Sb3 K3 57.095(19) 2_566 2_566 ?
O10 Sb3 K2A 78.1(2) 1_455 . ?
O2 Sb3 K2A 137.85(18) . . ?
O5 Sb3 K2A 49.22(18) . . ?
O3 Sb3 K2A 132.91(18) 1_565 . ?
O13 Sb3 K2A 45.44(16) . . ?
O9 Sb3 K2A 97.05(19) 1_565 . ?
Sb1 Sb3 K2A 73.24(14) 2_676 . ?
K1 Sb3 K2A 78.93(16) 2_566 . ?
K3 Sb3 K2A 122.36(17) 2_566 . ?
O10 Sb3 K1 138.48(11) 1_455 2_666 ?
O2 Sb3 K1 90.21(12) . 2_666 ?
O5 Sb3 K1 42.64(11) . 2_666 ?
O3 Sb3 K1 136.00(11) 1_565 2_666 ?
O13 Sb3 K1 81.63(10) . 2_666 ?
O9 Sb3 K1 45.63(10) 1_565 2_666 ?
Sb1 Sb3 K1 65.815(15) 2_676 2_666 ?
K1 Sb3 K1 138.71(3) 2_566 2_666 ?
K3 Sb3 K1 164.082(19) 2_566 2_666 ?
K2A Sb3 K1 67.92(17) . 2_666 ?
O10 Sb4 O8 98.26(16) . . ?
O10 Sb4 O11 94.81(17) . . ?
O8 Sb4 O11 88.85(17) . . ?
O10 Sb4 O7 85.82(15) . . ?
O8 Sb4 O7 174.79(17) . . ?
O11 Sb4 O7 87.58(17) . . ?
O10 Sb4 O4 93.16(16) . 2_666 ?
O8 Sb4 O4 86.82(16) . 2_666 ?
O11 Sb4 O4 171.40(16) . 2_666 ?
O7 Sb4 O4 96.22(15) . 2_666 ?
O10 Sb4 O9 169.82(15) . . ?
O8 Sb4 O9 87.40(15) . . ?
O11 Sb4 O9 93.75(16) . . ?
O7 Sb4 O9 89.05(14) . . ?
O4 Sb4 O9 78.64(15) 2_666 . ?
O10 Sb4 Sb1 128.75(12) . 2_666 ?
O8 Sb4 Sb1 94.23(11) . 2_666 ?
O11 Sb4 Sb1 135.10(12) . 2_666 ?
O7 Sb4 Sb1 85.64(10) . 2_666 ?
O4 Sb4 Sb1 38.12(10) 2_666 2_666 ?
O9 Sb4 Sb1 41.87(10) . 2_666 ?
O10 Sb4 K1 47.24(12) . 2_666 ?
O8 Sb4 K1 122.02(12) . 2_666 ?
O11 Sb4 K1 130.41(13) . 2_666 ?
O7 Sb4 K1 63.17(11) . 2_666 ?
O4 Sb4 K1 58.01(11) 2_666 2_666 ?
O9 Sb4 K1 122.59(10) . 2_666 ?
Sb1 Sb4 K1 84.433(16) 2_666 2_666 ?
O10 Sb4 K3 99.58(12) . 1_554 ?
O8 Sb4 K3 128.32(12) . 1_554 ?
O11 Sb4 K3 41.68(12) . 1_554 ?
O7 Sb4 K3 47.33(11) . 1_554 ?
O4 Sb4 K3 139.55(11) 2_666 1_554 ?
O9 Sb4 K3 83.25(10) . 1_554 ?
Sb1 Sb4 K3 110.659(17) 2_666 1_554 ?
K1 Sb4 K3 105.40(2) 2_666 1_554 ?
O10 Sb4 K2B 79.16(17) . 1_655 ?
O8 Sb4 K2B 46.40(16) . 1_655 ?
O11 Sb4 K2B 132.15(17) . 1_655 ?
O7 Sb4 K2B 138.16(16) . 1_655 ?
O4 Sb4 K2B 46.67(16) 2_666 1_655 ?
O9 Sb4 K2B 99.06(16) . 1_655 ?
Sb1 Sb4 K2B 74.45(13) 2_666 1_655 ?
K1 Sb4 K2B 78.32(10) 2_666 1_655 ?
K3 Sb4 K2B 173.76(12) 1_554 1_655 ?
O10 Sb4 K3 42.54(11) . 2_666 ?
O8 Sb4 K3 133.49(11) . 2_666 ?
O11 Sb4 K3 74.62(13) . 2_666 ?
O7 Sb4 K3 48.82(10) . 2_666 ?
O4 Sb4 K3 113.64(11) 2_666 2_666 ?
O9 Sb4 K3 135.83(10) . 2_666 ?
Sb1 Sb4 K3 128.135(17) 2_666 2_666 ?
K1 Sb4 K3 55.865(19) 2_666 2_666 ?
K3 Sb4 K3 59.54(2) 1_554 2_666 ?
K2B Sb4 K3 120.56(11) 1_655 2_666 ?
O10 Sb4 K2A 76.62(19) . 1_655 ?
O8 Sb4 K2A 46.05(18) . 1_655 ?
O11 Sb4 K2A 130.4(2) . 1_655 ?
O7 Sb4 K2A 138.67(17) . 1_655 ?
O4 Sb4 K2A 48.8(2) 2_666 1_655 ?
O9 Sb4 K2A 101.82(19) . 1_655 ?
Sb1 Sb4 K2A 77.32(18) 2_666 1_655 ?
K1 Sb4 K2A 77.77(12) 2_666 1_655 ?
K3 Sb4 K2A 171.50(17) 1_554 1_655 ?
K2B Sb4 K2A 3.0(3) 1_655 1_655 ?
K3 Sb4 K2A 118.31(15) 2_666 1_655 ?
O10 K1 O8 106.75(11) 2_666 2_656 ?
O10 K1 O5 101.71(11) 2_666 2_666 ?
O8 K1 O5 113.05(11) 2_656 2_666 ?
O10 K1 O1 167.42(11) 2_666 . ?
O8 K1 O1 80.43(11) 2_656 . ?
O5 K1 O1 84.34(12) 2_666 . ?
O10 K1 O9 130.99(11) 2_666 2_656 ?
O8 K1 O9 57.52(10) 2_656 2_656 ?
O5 K1 O9 57.95(10) 2_666 2_656 ?
O1 K1 O9 61.55(10) . 2_656 ?
O10 K1 O13 56.76(10) 2_666 2_566 ?
O8 K1 O13 88.02(10) 2_656 2_566 ?
O5 K1 O13 154.58(10) 2_666 2_566 ?
O1 K1 O13 114.31(11) . 2_566 ?
O9 K1 O13 145.44(10) 2_656 2_566 ?
O10 K1 O3 52.03(10) 2_666 2_556 ?
O8 K1 O3 55.13(10) 2_656 2_556 ?
O5 K1 O3 125.23(11) 2_666 2_556 ?
O1 K1 O3 132.58(11) . 2_556 ?
O9 K1 O3 100.61(10) 2_656 2_556 ?
O13 K1 O3 54.95(10) 2_566 2_556 ?
O10 K1 O4 56.69(10) 2_666 . ?
O8 K1 O4 157.84(10) 2_656 . ?
O5 K1 O4 86.38(10) 2_666 . ?
O1 K1 O4 113.38(10) . . ?
O9 K1 O4 143.84(10) 2_656 . ?
O13 K1 O4 70.68(9) 2_566 . ?
O3 K1 O4 105.45(9) 2_556 . ?
O10 K1 O7 50.18(10) 2_666 2_666 ?
O8 K1 O7 129.43(11) 2_656 2_666 ?
O5 K1 O7 52.23(10) 2_666 2_666 ?
O1 K1 O7 132.75(11) . 2_666 ?
O9 K1 O7 100.92(10) 2_656 2_666 ?
O13 K1 O7 103.67(9) 2_566 2_666 ?
O3 K1 O7 91.92(9) 2_556 2_666 ?
O4 K1 O7 54.12(9) . 2_666 ?
O10 K1 K2B 97.53(14) 2_666 . ?
O8 K1 K2B 115.90(16) 2_656 . ?
O5 K1 K2B 118.56(17) 2_666 . ?
O1 K1 K2B 69.91(14) . . ?
O9 K1 K2B 131.47(14) 2_656 . ?
O13 K1 K2B 58.30(16) 2_566 . ?
O3 K1 K2B 112.58(17) 2_556 . ?
O4 K1 K2B 58.16(13) . . ?
O7 K1 K2B 111.84(13) 2_666 . ?
O10 K1 K2A 98.41(17) 2_666 . ?
O8 K1 K2A 118.48(19) 2_656 . ?
O5 K1 K2A 115.2(2) 2_666 . ?
O1 K1 K2A 69.01(17) . . ?
O9 K1 K2A 130.43(17) 2_656 . ?
O13 K1 K2A 61.1(2) 2_566 . ?
O3 K1 K2A 115.6(2) 2_556 . ?
O4 K1 K2A 56.69(16) . . ?
O7 K1 K2A 109.94(17) 2_666 . ?
K2B K1 K2A 3.3(3) . . ?
O6 K2A O13 114.4(4) . . ?
O6 K2A O8 55.7(2) . 1_455 ?
O13 K2A O8 91.5(3) . 1_455 ?
O6 K2A O5 57.7(2) . . ?
O13 K2A O5 57.0(2) . . ?
O8 K2A O5 56.0(2) 1_455 . ?
O6 K2A O4 109.2(3) . 2_566 ?
O13 K2A O4 76.4(2) . 2_566 ?
O8 K2A O4 54.2(2) 1_455 2_566 ?
O5 K2A O4 90.2(3) . 2_566 ?
O6 K2A O4 135.4(4) . . ?
O13 K2A O4 78.3(2) . . ?
O8 K2A O4 167.4(3) 1_455 . ?
O5 K2A O4 121.6(4) . . ?
O4 K2A O4 115.4(3) 2_566 . ?
O6 K2A K2B 170.8(3) . 2_566 ?
O13 K2A K2B 62.98(19) . 2_566 ?
O8 K2A K2B 115.0(2) 1_455 2_566 ?
O5 K2A K2B 118.16(19) . 2_566 ?
O4 K2A K2B 61.75(17) 2_566 2_566 ?
O4 K2A K2B 53.70(17) . 2_566 ?
O6 K2A K2A 169.2(6) . 2_566 ?
O13 K2A K2A 65.9(3) . 2_566 ?
O8 K2A K2A 113.7(5) 1_455 2_566 ?
O5 K2A K2A 120.4(4) . 2_566 ?
O4 K2A K2A 60.0(3) 2_566 2_566 ?
O4 K2A K2A 55.4(3) . 2_566 ?
K2B K2A K2A 3.4(3) 2_566 2_566 ?
O6 K2A O13 128.0(4) . 2_566 ?
O13 K2A O13 116.3(3) . 2_566 ?
O8 K2A O13 111.9(4) 1_455 2_566 ?
O5 K2A O13 163.2(4) . 2_566 ?
O4 K2A O13 73.0(3) 2_566 2_566 ?
O4 K2A O13 67.3(2) . 2_566 ?
K2B K2A O13 53.38(15) 2_566 2_566 ?
K2A K2A O13 50.5(3) 2_566 2_566 ?
O6 K2A K1 96.3(3) . . ?
O13 K2A K1 134.4(3) . . ?
O8 K2A K1 134.1(3) 1_455 . ?
O5 K2A K1 142.7(4) . . ?
O4 K2A K1 125.6(4) 2_566 . ?
O4 K2A K1 56.51(17) . . ?
K2B K2A K1 91.11(18) 2_566 . ?
K2A K2A K1 90.1(4) 2_566 . ?
O13 K2A K1 53.83(17) 2_566 . ?
O6 K2A Sb2 32.38(14) . . ?
O13 K2A Sb2 88.1(3) . . ?
O8 K2A Sb2 33.34(13) 1_455 . ?
O5 K2A Sb2 33.66(13) . . ?
O4 K2A Sb2 85.4(2) 2_566 . ?
O4 K2A Sb2 151.0(4) . . ?
K2B K2A Sb2 139.60(19) 2_566 . ?
K2A K2A Sb2 139.9(4) 2_566 . ?
O13 K2A Sb2 141.2(3) 2_566 . ?
K1 K2A Sb2 128.6(2) . . ?
O6 K2B O4 111.1(2) . 2_566 ?
O6 K2B O8 55.65(16) . 1_455 ?
O4 K2B O8 55.75(15) 2_566 1_455 ?
O6 K2B O13 108.8(3) . . ?
O4 K2B O13 76.34(18) 2_566 . ?
O8 K2B O13 89.7(2) 1_455 . ?
O6 K2B O5 55.17(18) . . ?
O4 K2B O5 89.53(19) 2_566 . ?
O8 K2B O5 54.64(15) 1_455 . ?
O13 K2B O5 54.22(16) . . ?
O6 K2B K2B 170.2(4) . 2_566 ?
O4 K2B K2B 63.6(2) 2_566 2_566 ?
O8 K2B K2B 117.7(3) 1_455 2_566 ?
O13 K2B K2B 62.5(2) . 2_566 ?
O5 K2B K2B 115.4(3) . 2_566 ?
O6 K2B O13 133.0(3) . 2_566 ?
O4 K2B O13 77.1(2) 2_566 2_566 ?
O8 K2B O13 117.9(3) 1_455 2_566 ?
O13 K2B O13 118.0(2) . 2_566 ?
O5 K2B O13 166.2(3) . 2_566 ?
K2B K2B O13 55.5(3) 2_566 2_566 ?
O6 K2B O4 130.7(3) . . ?
O4 K2B O4 117.4(2) 2_566 . ?
O8 K2B O4 165.4(3) 1_455 . ?
O13 K2B O4 75.82(19) . . ?
O5 K2B O4 115.7(3) . . ?
K2B K2B O4 53.81(19) 2_566 . ?
O13 K2B O4 68.87(16) 2_566 . ?
O6 K2B K2A 171.38(12) . 2_566 ?
O4 K2B K2A 61.90(18) 2_566 2_566 ?
O8 K2B K2A 116.70(16) 1_455 2_566 ?
O13 K2B K2A 65.5(2) . 2_566 ?
O5 K2B K2A 117.99(15) . 2_566 ?
K2B K2B K2A 3.6(4) 2_566 2_566 ?
O13 K2B K2A 52.48(16) 2_566 2_566 ?
O4 K2B K2A 55.63(19) . 2_566 ?
O6 K2B K1 96.4(2) . . ?
O4 K2B K1 131.9(3) 2_566 . ?
O8 K2B K1 137.9(2) 1_455 . ?
O13 K2B K1 131.6(2) . . ?
O5 K2B K1 138.0(3) . . ?
K2B K2B K1 93.0(3) 2_566 . ?
O13 K2B K1 55.70(13) 2_566 . ?
O4 K2B K1 56.71(12) . . ?
K2A K2B K1 92.16(13) 2_566 . ?
O6 K2B Sb2 31.58(11) . . ?
O4 K2B Sb2 85.81(16) 2_566 . ?
O8 K2B Sb2 32.50(10) 1_455 . ?
O13 K2B Sb2 85.01(19) . . ?
O5 K2B Sb2 32.90(10) . . ?
K2B K2B Sb2 138.9(3) 2_566 . ?
O13 K2B Sb2 146.3(3) 2_566 . ?
O4 K2B Sb2 144.4(3) . . ?
K2A K2B Sb2 139.82(10) 2_566 . ?
K1 K2B Sb2 128.0(2) . . ?
O11 K3 O10 148.37(12) 1_556 2_666 ?
O11 K3 O7 57.92(11) 1_556 1_556 ?
O10 K3 O7 119.59(11) 2_666 1_556 ?
O11 K3 O3 151.54(12) 1_556 2_556 ?
O10 K3 O3 54.36(10) 2_666 2_556 ?
O7 K3 O3 137.95(11) 1_556 2_556 ?
O11 K3 O2 71.37(12) 1_556 1_546 ?
O10 K3 O2 139.50(11) 2_666 1_546 ?
O7 K3 O2 84.51(11) 1_556 1_546 ?
O3 K3 O2 85.64(11) 2_556 1_546 ?
O11 K3 O7 94.37(11) 1_556 2_666 ?
O10 K3 O7 54.02(10) 2_666 2_666 ?
O7 K3 O7 98.52(10) 1_556 2_666 ?
O3 K3 O7 103.65(11) 2_556 2_666 ?
O2 K3 O7 161.16(11) 1_546 2_666 ?
O11 K3 O12 114.53(11) 1_556 2_667 ?
O10 K3 O12 74.18(11) 2_666 2_667 ?
O7 K3 O12 56.76(10) 1_556 2_667 ?
O3 K3 O12 84.60(11) 2_556 2_667 ?
O2 K3 O12 98.40(11) 1_546 2_667 ?
O7 K3 O12 98.77(10) 2_666 2_667 ?
O11 K3 B1 86.89(14) 1_556 2_656 ?
O10 K3 B1 119.55(14) 2_666 2_656 ?
O7 K3 B1 110.04(13) 1_556 2_656 ?
O3 K3 B1 65.97(13) 2_556 2_656 ?
O2 K3 B1 25.56(13) 1_546 2_656 ?
O7 K3 B1 146.69(12) 2_666 2_656 ?
O12 K3 B1 110.96(12) 2_667 2_656 ?
O11 K3 O3 87.27(10) 1_556 1_556 ?
O10 K3 O3 117.10(10) 2_666 1_556 ?
O7 K3 O3 52.97(10) 1_556 1_556 ?
O3 K3 O3 90.51(10) 2_556 1_556 ?
O2 K3 O3 49.81(10) 1_546 1_556 ?
O7 K3 O3 144.38(10) 2_666 1_556 ?
O12 K3 O3 49.55(9) 2_667 1_556 ?
B1 K3 O3 68.92(11) 2_656 1_556 ?
O11 K3 O11 76.69(12) 1_556 2_656 ?
O10 K3 O11 120.04(11) 2_666 2_656 ?
O7 K3 O11 119.37(10) 1_556 2_656 ?
O3 K3 O11 74.95(10) 2_556 2_656 ?
O2 K3 O11 41.31(10) 1_546 2_656 ?
O7 K3 O11 124.73(10) 2_666 2_656 ?
O12 K3 O11 134.92(10) 2_667 2_656 ?
B1 K3 O11 23.96(11) 2_656 2_656 ?
O3 K3 O11 90.31(9) 1_556 2_656 ?
O11 K3 O2 41.76(11) 1_556 2_666 ?
O10 K3 O2 121.11(10) 2_666 2_666 ?
O7 K3 O2 98.63(10) 1_556 2_666 ?
O3 K3 O2 120.27(10) 2_556 2_666 ?
O2 K3 O2 82.10(11) 1_546 2_666 ?
O7 K3 O2 79.06(9) 2_666 2_666 ?
O12 K3 O2 154.98(10) 2_667 2_666 ?
B1 K3 O2 80.00(12) 2_656 2_666 ?
O3 K3 O2 121.68(9) 1_556 2_666 ?
O11 K3 O2 58.03(9) 2_656 2_666 ?
O11 K3 B1 20.47(12) 1_556 1_556 ?
O10 K3 B1 133.88(12) 2_666 1_556 ?
O7 K3 B1 76.15(11) 1_556 1_556 ?
O3 K3 B1 141.66(12) 2_556 1_556 ?
O2 K3 B1 80.57(12) 1_546 1_556 ?
O7 K3 B1 82.11(11) 2_666 1_556 ?
O12 K3 B1 132.63(12) 2_667 1_556 ?
B1 K3 B1 88.26(14) 2_656 1_556 ?
O3 K3 B1 106.76(11) 1_556 1_556 ?
O11 K3 B1 71.09(11) 2_656 1_556 ?
O2 K3 B1 22.49(11) 2_666 1_556 ?
Sb1 O1 Sb1 100.06(16) 2_666 1_545 ?
Sb1 O1 K1 153.93(18) 2_666 . ?
Sb1 O1 K1 105.99(15) 1_545 . ?
B1 O2 Sb3 146.2(4) 2_665 . ?
B1 O2 K3 85.3(3) 2_665 1_564 ?
Sb3 O2 K3 115.70(17) . 1_564 ?
B1 O2 K3 84.1(3) 2_665 2_666 ?
Sb3 O2 K3 116.31(16) . 2_666 ?
K3 O2 K3 97.90(11) 1_564 2_666 ?
Sb3 O3 Sb2 134.8(2) 1_545 . ?
Sb3 O3 K3 101.75(14) 1_545 2_556 ?
Sb2 O3 K3 123.36(16) . 2_556 ?
Sb3 O3 K1 90.45(13) 1_545 2_556 ?
Sb2 O3 K1 99.45(14) . 2_556 ?
K3 O3 K1 73.13(9) 2_556 2_556 ?
Sb3 O3 K3 98.88(14) 1_545 1_554 ?
Sb2 O3 K3 85.14(12) . 1_554 ?
K3 O3 K3 89.49(10) 2_556 1_554 ?
K1 O3 K3 161.70(13) 2_556 1_554 ?
Sb1 O4 Sb4 103.14(17) . 2_666 ?
Sb1 O4 K2B 121.5(2) . 2_566 ?
Sb4 O4 K2B 103.1(2) 2_666 2_566 ?
Sb1 O4 K2A 124.8(3) . 2_566 ?
Sb4 O4 K2A 101.1(2) 2_666 2_566 ?
K2B O4 K2A 3.3(4) 2_566 2_566 ?
Sb1 O4 K1 126.65(16) . . ?
Sb4 O4 K1 89.45(12) 2_666 . ?
K2B O4 K1 104.87(18) 2_566 . ?
K2A O4 K1 102.3(2) 2_566 . ?
Sb1 O4 K2A 109.3(3) . . ?
Sb4 O4 K2A 147.0(3) 2_666 . ?
K2B O4 K2A 64.40(19) 2_566 . ?
K2A O4 K2A 64.7(3) 2_566 . ?
K1 O4 K2A 66.80(18) . . ?
Sb1 O4 K2B 112.9(2) . . ?
Sb4 O4 K2B 143.5(2) 2_666 . ?
K2B O4 K2B 62.6(2) 2_566 . ?
K2A O4 K2B 62.62(17) 2_566 . ?
K1 O4 K2B 65.14(14) . . ?
K2A O4 K2B 3.6(4) . . ?
Sb3 O5 Sb2 134.2(2) . . ?
Sb3 O5 K1 109.64(15) . 2_666 ?
Sb2 O5 K1 113.06(15) . 2_666 ?
Sb3 O5 K2A 101.4(2) . . ?
Sb2 O5 K2A 89.4(2) . . ?
K1 O5 K2A 97.0(2) 2_666 . ?
Sb3 O5 K2B 101.34(19) . . ?
Sb2 O5 K2B 87.51(18) . . ?
K1 O5 K2B 99.51(18) 2_666 . ?
K2A O5 K2B 2.7(3) . . ?
Sb1 O6 Sb2 127.79(19) 2_666 . ?
Sb1 O6 K2A 130.0(3) 2_666 . ?
Sb2 O6 K2A 102.2(2) . . ?
Sb1 O6 K2B 129.1(2) 2_666 . ?
Sb2 O6 K2B 102.98(19) . . ?
K2A O6 K2B 4.3(4) . . ?
Sb2 O7 Sb4 132.14(19) . . ?
Sb2 O7 K3 100.39(14) . 1_554 ?
Sb4 O7 K3 102.45(14) . 1_554 ?
Sb2 O7 K3 123.11(15) . 2_666 ?
Sb4 O7 K3 101.58(13) . 2_666 ?
K3 O7 K3 81.48(10) 1_554 2_666 ?
Sb2 O7 K1 95.38(14) . 2_666 ?
Sb4 O7 K1 85.01(13) . 2_666 ?
K3 O7 K1 150.00(13) 1_554 2_666 ?
K3 O7 K1 68.53(8) 2_666 2_666 ?
Sb4 O8 Sb2 129.42(19) . 1_655 ?
Sb4 O8 K1 110.37(16) . 2_656 ?
Sb2 O8 K1 109.90(15) 1_655 2_656 ?
Sb4 O8 K2B 104.7(2) . 1_655 ?
Sb2 O8 K2B 94.9(2) 1_655 1_655 ?
K1 O8 K2B 102.79(19) 2_656 1_655 ?
Sb4 O8 K2A 105.6(2) . 1_655 ?
Sb2 O8 K2A 91.4(3) 1_655 1_655 ?
K1 O8 K2A 105.9(2) 2_656 1_655 ?
K2B O8 K2A 4.0(4) 1_655 1_655 ?
Sb4 O9 Sb3 143.32(19) . 1_545 ?
Sb4 O9 Sb1 97.87(15) . 2_666 ?
Sb3 O9 Sb1 98.64(14) 1_545 2_666 ?
Sb4 O9 K1 104.42(13) . 2_656 ?
Sb3 O9 K1 104.13(13) 1_545 2_656 ?
Sb1 O9 K1 101.27(13) 2_666 2_656 ?
Sb3 O10 Sb4 140.2(2) 1_655 . ?
Sb3 O10 K1 101.00(16) 1_655 2_666 ?
Sb4 O10 K1 102.62(15) . 2_666 ?
Sb3 O10 K3 105.58(15) 1_655 2_666 ?
Sb4 O10 K3 110.04(16) . 2_666 ?
K1 O10 K3 79.20(10) 2_666 2_666 ?
B1 O11 Sb4 130.5(4) . . ?
B1 O11 K3 116.3(3) . 1_554 ?
Sb4 O11 K3 109.79(16) . 1_554 ?
B1 O11 K3 67.7(3) . 2_656 ?
Sb4 O11 K3 118.40(17) . 2_656 ?
K3 O11 K3 103.31(12) 1_554 2_656 ?
B1 O12 Sb2 127.4(3) 2_766 2_666 ?
B1 O12 K3 115.2(3) 2_766 2_667 ?
Sb2 O12 K3 95.88(13) 2_666 2_667 ?
Sb1 O13 Sb3 103.58(15) 2_676 . ?
Sb1 O13 K2A 121.5(3) 2_676 . ?
Sb3 O13 K2A 104.1(2) . . ?
Sb1 O13 K2B 124.0(2) 2_676 . ?
Sb3 O13 K2B 104.92(19) . . ?
K2A O13 K2B 3.3(4) . . ?
Sb1 O13 K1 123.01(15) 2_676 2_566 ?
Sb3 O13 K1 89.35(13) . 2_566 ?
K2A O13 K1 107.7(3) . 2_566 ?
K2B O13 K1 104.54(19) . 2_566 ?
Sb1 O13 K2B 110.05(19) 2_676 2_566 ?
Sb3 O13 K2B 145.5(2) . 2_566 ?
K2A O13 K2B 64.5(2) . 2_566 ?
K2B O13 K2B 62.0(2) . 2_566 ?
K1 O13 K2B 66.01(14) 2_566 2_566 ?
Sb1 O13 K2A 112.1(2) 2_676 2_566 ?
Sb3 O13 K2A 143.5(2) . 2_566 ?
K2A O13 K2A 63.7(3) . 2_566 ?
K2B O13 K2A 61.11(18) . 2_566 ?
K1 O13 K2A 65.03(18) 2_566 2_566 ?
K2B O13 K2A 2.0(3) 2_566 2_566 ?
O2 B1 O11 112.3(5) 2_665 . ?
O2 B1 O12 122.2(4) 2_665 2_766 ?
O11 B1 O12 125.0(5) . 2_766 ?
O2 B1 K3 69.1(3) 2_665 2_656 ?
O11 B1 K3 88.4(3) . 2_656 ?
O12 B1 K3 103.9(3) 2_766 2_656 ?
O2 B1 K3 73.5(3) 2_665 1_554 ?
O11 B1 K3 43.2(2) . 1_554 ?
O12 B1 K3 160.9(4) 2_766 1_554 ?
K3 B1 K3 91.74(14) 2_656 1_554 ?

_refine_diff_density_max         2.170
_refine_diff_density_min         -2.364
_refine_diff_density_rms         0.352

