# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_j-865
_database_code_depnum_ccdc_archive 'CCDC 1586436'
loop_
_audit_author_name
_audit_author_address
'Yjingjie Jia' 'Shanxi Normal University'
_audit_update_record             
;
2017-11-20 deposited with the CCDC.	2019-06-06 downloaded from the CCDC.
;
_audit_creation_date             2017-11-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(Bi4 I16 Na4 O48)'
_chemical_formula_sum            'Bi I4 Na O12'
_chemical_formula_weight         931.57
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   31.5437(19)
_cell_length_b                   5.6122(3)
_cell_length_c                   12.7289(8)
_cell_angle_alpha                90
_cell_angle_beta                 90.7346(12)
_cell_angle_gamma                90
_cell_volume                     2253.2(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      3.47
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    26.709
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.2695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.492
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       slice
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            28437
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_min         2.583
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_full    0.993
_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                4546
_reflns_number_total             4548
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.572
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.246
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.434(4)
_refine_ls_extinction_coef       0.00145(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4548
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0204
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0297P)²+13.6668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0511
_refine_ls_wR_factor_ref         0.0511
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.566(4)
 0.434(4)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Bi1 Bi 0.20242(2) -0.68715(9) 0.24159(3) 0.02485(13) Uani 1 1 d . . . . .
Bi2 Bi -0.00477(2) -0.27689(8) 0.24003(3) 0.02299(12) Uani 1 1 d . . . . .
I3 I 0.21991(2) -0.79813(12) -0.05313(6) 0.02079(17) Uani 1 1 d . . . . .
I6 I -0.02277(2) -0.79874(12) 0.03297(6) 0.02067(16) Uani 1 1 d . . . . .
I2 I 0.27922(3) -1.23484(14) 0.14316(6) 0.02127(16) Uani 1 1 d . . . . .
I7 I -0.12010(3) -0.31265(13) 0.10399(6) 0.02221(17) Uani 1 1 d . . . . .
I8 I -0.08044(3) 0.24283(13) 0.33445(6) 0.02048(16) Uani 1 1 d . . . . .
I4 I 0.13864(3) -0.29983(12) 0.03836(6) 0.02317(16) Uani 1 1 d . . . . .
I5 I 0.08153(3) -0.24530(12) -0.29877(6) 0.02088(16) Uani 1 1 d . . . . .
O17 O 0.0090(3) -0.1795(16) 0.4166(7) 0.0291(19) Uani 1 1 d . . . . .
O3 O 0.2696(3) -0.5518(16) 0.3194(7) 0.0288(19) Uani 1 1 d . . . . .
O8 O 0.2346(3) -1.4367(17) 0.1136(7) 0.032(2) Uani 1 1 d . . . . .
O18 O -0.0727(3) -0.4354(15) 0.1649(8) 0.0301(19) Uani 1 1 d . . . . .
O23 O -0.1207(3) -0.4884(17) -0.0135(8) 0.034(2) Uani 1 1 d . . . . .
O7 O 0.2746(3) -1.0570(16) 0.0241(7) 0.0293(19) Uani 1 1 d . . . . .
O6 O 0.2532(3) -1.0411(17) 0.2362(7) 0.035(2) Uani 1 1 d . . . . .
O22 O -0.1578(3) -0.4708(19) 0.1841(7) 0.035(2) Uani 1 1 d . . . . .
O9 O 0.1986(3) -1.0675(16) -0.1075(7) 0.0288(19) Uani 1 1 d . . . . .
O10 O 0.1848(3) -0.5936(15) -0.1241(7) 0.0276(18) Uani 1 1 d . . . . .
O5 O 0.1882(3) -0.8218(16) 0.0649(7) 0.0274(19) Uani 1 1 d . . . . .
O11 O 0.1011(4) -0.5153(14) -0.0055(9) 0.0318(16) Uani 1 1 d . . . . .
O4 O 0.1417(3) -0.3912(17) 0.1763(7) 0.033(2) Uani 1 1 d . . . . .
O13 O 0.1016(3) -0.0549(16) 0.0422(7) 0.036(2) Uani 1 1 d . . . . .
O14 O 0.0606(3) -0.4828(16) -0.2163(7) 0.0266(18) Uani 1 1 d . . . . .
O12 O 0.1294(3) -0.1770(14) -0.2239(7) 0.0277(17) Uani 1 1 d . . . . .
O1AA O 0.0525(3) -0.0062(17) -0.2367(7) 0.0303(18) Uani 1 1 d . . . . .
Na2 Na 0.11226(18) -0.7750(8) -0.1472(4) 0.0297(11) Uani 1 1 d . . . . .
Na1 Na 0.0370(2) -0.2791(10) -0.0533(4) 0.0372(13) Uani 1 1 d . . . . .
O15 O -0.0021(3) -1.0831(16) 0.0795(7) 0.0300(19) Uani 1 1 d . . . . .
O16 O 0.0122(3) -0.5978(17) 0.1058(7) 0.031(2) Uani 1 1 d . . . . .
O20 O -0.0776(3) 0.0485(16) 0.4470(7) 0.0272(18) Uani 1 1 d . . . . .
O21 O -0.0348(3) 0.4271(17) 0.3670(7) 0.031(2) Uani 1 1 d . . . . .
O19 O -0.0548(3) 0.0516(16) 0.2384(7) 0.0285(19) Uani 1 1 d . . . . .
I1 I 0.31876(3) -0.67670(13) 0.37350(6) 0.02197(17) Uani 1 1 d . . . . .
O1 O 0.3212(3) -0.5058(17) 0.4933(7) 0.0304(19) Uani 1 1 d . . . . .
O2 O 0.3547(3) -0.5120(19) 0.2919(7) 0.035(2) 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
Bi1 O3 2.448(8) . ?
Bi1 O8 2.387(9) 1_565 ?
Bi1 O6 2.554(9) . ?
Bi1 O9 2.368(9) 2_535 ?
Bi1 O10 2.396(9) 2_545 ?
Bi1 O5 2.410(9) . ?
Bi1 O4 2.660(10) . ?
Bi1 O12 2.471(8) 2_545 ?
Bi2 O17 2.348(9) . ?
Bi2 O18 2.498(9) . ?
Bi2 O14 2.521(8) 2_545 ?
Bi2 O1AA 2.421(8) 2 ?
Bi2 Na2 3.954(5) 2_545 ?
Bi2 Na1 3.844(5) 2_545 ?
Bi2 O15 2.318(9) 1_565 ?
Bi2 O16 2.545(9) . ?
Bi2 O21 2.512(9) 1_545 ?
Bi2 O19 2.426(9) . ?
I3 O7 2.452(9) . ?
I3 O9 1.790(9) . ?
I3 O10 1.827(8) . ?
I3 O5 1.820(9) . ?
I3 Na2 3.588(6) . ?
I6 O17 1.803(9) 2_544 ?
I6 Na1 3.476(6) 1_545 ?
I6 Na1 3.650(6) . ?
I6 O15 1.821(9) . ?
I6 O16 1.823(9) . ?
I6 O20 2.471(9) 2_544 ?
I2 O8 1.843(9) . ?
I2 O7 1.818(9) . ?
I2 O6 1.811(9) . ?
I7 O18 1.812(9) . ?
I7 O23 1.792(10) . ?
I7 O22 1.809(9) . ?
I8 O20 1.802(8) . ?
I8 O21 1.816(8) . ?
I8 O19 1.825(8) . ?
I4 O11 1.778(9) . ?
I4 O4 1.831(8) . ?
I4 O13 1.805(9) . ?
I4 Na2 3.651(5) . ?
I4 Na1 3.399(6) . ?
I5 O14 1.825(9) . ?
I5 O12 1.817(8) . ?
I5 O1AA 1.812(9) . ?
I5 Na2 3.403(5) 1_565 ?
I5 Na2 3.667(5) . ?
I5 Na1 3.447(6) . ?
O17 I6 1.802(9) 2_545 ?
O17 Na1 2.747(11) 2 ?
O3 I1 1.829(9) . ?
O8 Bi1 2.387(9) 1_545 ?
O9 Bi1 2.368(9) 2_534 ?
O10 Bi1 2.396(9) 2_544 ?
O10 Na2 2.517(10) . ?
O11 Na2 2.349(12) . ?
O11 Na1 2.486(12) . ?
O4 Na2 2.614(11) 2_545 ?
O13 Na2 2.900(11) 1_565 ?
O13 Na1 2.674(11) . ?
O14 Bi2 2.521(8) 2_544 ?
O14 Na2 2.465(10) . ?
O14 Na1 2.491(10) . ?
O12 Bi1 2.471(8) 2_544 ?
O12 Na2 2.520(9) 1_565 ?
O1AA Bi2 2.421(8) 2_554 ?
O1AA Na2 2.546(10) 1_565 ?
O1AA Na1 2.839(11) . ?
Na2 I5 3.403(5) 1_545 ?
Na2 O4 2.613(11) 2_544 ?
Na2 O13 2.900(11) 1_545 ?
Na2 O12 2.520(9) 1_545 ?
Na2 O1AA 2.546(10) 1_545 ?
Na2 Na1 3.857(7) . ?
Na1 I6 3.476(6) 1_565 ?
Na1 O17 2.747(11) 2_554 ?
Na1 O15 2.374(10) 1_565 ?
Na1 O16 2.820(12) . ?
Na1 O21 2.606(11) 2_554 ?
O15 Bi2 2.318(9) 1_545 ?
O15 Na1 2.374(10) 1_545 ?
O20 I6 2.471(9) 2_545 ?
O21 Bi2 2.512(9) 1_565 ?
O21 Na1 2.606(11) 2 ?
I1 O1 1.802(9) . ?
I1 O2 1.802(9) . ?

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
O3 Bi1 O6 73.3(3) . . ?
O3 Bi1 O4 123.3(3) . . ?
O3 Bi1 O12 145.8(3) . 2_545 ?
O8 Bi1 O3 73.8(3) 1_565 . ?
O8 Bi1 O6 99.6(3) 1_565 . ?
O8 Bi1 O10 101.8(3) 1_565 2_545 ?
O8 Bi1 O5 67.9(3) 1_565 . ?
O8 Bi1 O4 74.3(3) 1_565 . ?
O8 Bi1 O12 135.1(3) 1_565 2_545 ?
O6 Bi1 O4 157.9(3) . . ?
O9 Bi1 O3 84.6(3) 2_535 . ?
O9 Bi1 O8 157.3(3) 2_535 1_565 ?
O9 Bi1 O6 66.9(3) 2_535 . ?
O9 Bi1 O10 77.8(3) 2_535 2_545 ?
O9 Bi1 O5 124.3(3) 2_535 . ?
O9 Bi1 O4 124.9(3) 2_535 . ?
O9 Bi1 O12 67.6(3) 2_535 2_545 ?
O10 Bi1 O3 73.4(3) 2_545 . ?
O10 Bi1 O6 133.0(3) 2_545 . ?
O10 Bi1 O5 146.1(3) 2_545 . ?
O10 Bi1 O4 68.8(3) 2_545 . ?
O10 Bi1 O12 81.4(3) 2_545 2_545 ?
O5 Bi1 O3 128.7(3) . . ?
O5 Bi1 O6 80.8(3) . . ?
O5 Bi1 O4 77.3(3) . . ?
O5 Bi1 O12 84.7(3) . 2_545 ?
O12 Bi1 O6 110.6(3) 2_545 . ?
O12 Bi1 O4 65.1(3) 2_545 . ?
O17 Bi2 O18 126.6(3) . . ?
O17 Bi2 O14 76.9(3) . 2_545 ?
O17 Bi2 O1AA 66.5(3) . 2 ?
O17 Bi2 Na2 58.4(3) . 2_545 ?
O17 Bi2 Na1 55.8(2) . 2_545 ?
O17 Bi2 O16 140.3(3) . . ?
O17 Bi2 O21 66.7(3) . 1_545 ?
O17 Bi2 O19 86.8(3) . . ?
O18 Bi2 O14 126.1(3) . 2_545 ?
O18 Bi2 Na2 163.1(2) . 2_545 ?
O18 Bi2 Na1 108.4(2) . 2_545 ?
O18 Bi2 O16 71.2(3) . . ?
O18 Bi2 O21 71.5(3) . 1_545 ?
O14 Bi2 Na2 37.0(2) 2_545 2_545 ?
O14 Bi2 Na1 39.6(2) 2_545 2_545 ?
O14 Bi2 O16 65.8(3) 2_545 . ?
O1AA Bi2 O18 156.2(3) 2 . ?
O1AA Bi2 O14 73.5(3) 2 2_545 ?
O1AA Bi2 Na2 38.3(2) 2 2_545 ?
O1AA Bi2 Na1 95.3(2) 2 2_545 ?
O1AA Bi2 O16 112.5(3) 2 . ?
O1AA Bi2 O21 130.0(3) 2 1_545 ?
O1AA Bi2 O19 89.2(3) 2 . ?
Na1 Bi2 Na2 59.27(11) 2_545 2_545 ?
O15 Bi2 O17 136.6(3) 1_565 . ?
O15 Bi2 O18 82.6(3) 1_565 . ?
O15 Bi2 O14 114.0(3) 1_565 2_545 ?
O15 Bi2 O1AA 76.4(3) 1_565 2 ?
O15 Bi2 Na2 103.9(3) 1_565 2_545 ?
O15 Bi2 Na1 153.0(2) 1_565 2_545 ?
O15 Bi2 O16 74.3(3) 1_565 . ?
O15 Bi2 O21 153.7(3) 1_565 1_545 ?
O15 Bi2 O19 70.6(3) 1_565 . ?
O16 Bi2 Na2 95.3(2) . 2_545 ?
O16 Bi2 Na1 85.8(2) . 2_545 ?
O21 Bi2 O14 79.6(3) 1_545 2_545 ?
O21 Bi2 Na2 100.0(2) 1_545 2_545 ?
O21 Bi2 Na1 42.3(2) 1_545 2_545 ?
O21 Bi2 O16 92.8(3) 1_545 . ?
O19 Bi2 O18 73.3(3) . . ?
O19 Bi2 O14 159.8(3) . 2_545 ?
O19 Bi2 Na2 123.4(2) . 2_545 ?
O19 Bi2 Na1 135.7(2) . 2_545 ?
O19 Bi2 O16 132.4(3) . . ?
O19 Bi2 O21 104.9(3) . 1_545 ?
O7 I3 Na2 144.4(2) . . ?
O9 I3 O7 85.1(4) . . ?
O9 I3 O10 96.7(4) . . ?
O9 I3 O5 92.8(4) . . ?
O9 I3 Na2 63.4(3) . . ?
O10 I3 O7 172.0(4) . . ?
O10 I3 Na2 41.1(3) . . ?
O5 I3 O7 91.0(4) . . ?
O5 I3 O10 96.7(4) . . ?
O5 I3 Na2 75.6(3) . . ?
O17 I6 Na1 51.6(3) 2_544 1_545 ?
O17 I6 Na1 60.8(3) 2_544 . ?
O17 I6 O15 90.4(4) 2_544 . ?
O17 I6 O16 96.9(4) 2_544 . ?
O17 I6 O20 89.5(4) 2_544 2_544 ?
Na1 I6 Na1 103.89(16) 1_545 . ?
O15 I6 Na1 127.8(3) . . ?
O15 I6 Na1 39.5(3) . 1_545 ?
O15 I6 O16 99.5(4) . . ?
O15 I6 O20 83.9(4) . 2_544 ?
O16 I6 Na1 108.2(3) . 1_545 ?
O16 I6 Na1 49.2(3) . . ?
O16 I6 O20 172.8(4) . 2_544 ?
O20 I6 Na1 78.4(2) 2_544 1_545 ?
O20 I6 Na1 132.9(2) 2_544 . ?
O7 I2 O8 96.6(4) . . ?
O6 I2 O8 98.7(5) . . ?
O6 I2 O7 100.5(4) . . ?
O23 I7 O18 98.5(5) . . ?
O23 I7 O22 101.6(4) . . ?
O22 I7 O18 96.7(5) . . ?
O20 I8 O21 97.6(4) . . ?
O20 I8 O19 99.1(4) . . ?
O21 I8 O19 97.5(4) . . ?
O11 I4 O4 97.9(5) . . ?
O11 I4 O13 95.6(5) . . ?
O11 I4 Na2 32.3(4) . . ?
O11 I4 Na1 45.1(3) . . ?
O4 I4 Na2 115.1(3) . . ?
O4 I4 Na1 112.1(3) . . ?
O13 I4 O4 102.3(4) . . ?
O13 I4 Na2 115.6(3) . . ?
O13 I4 Na1 51.4(3) . . ?
Na1 I4 Na2 66.23(12) . . ?
O14 I5 Na2 110.0(3) . 1_565 ?
O14 I5 Na2 36.9(3) . . ?
O14 I5 Na1 44.3(3) . . ?
O12 I5 O14 99.0(4) . . ?
O12 I5 Na2 71.5(3) . . ?
O12 I5 Na2 46.4(3) . 1_565 ?
O12 I5 Na1 83.2(3) . . ?
O1AA I5 O14 95.8(4) . . ?
O1AA I5 O12 92.1(4) . . ?
O1AA I5 Na2 47.2(3) . 1_565 ?
O1AA I5 Na2 120.2(3) . . ?
O1AA I5 Na1 55.3(3) . . ?
Na2 I5 Na2 105.01(14) 1_565 . ?
Na2 I5 Na1 69.22(14) 1_565 . ?
Na1 I5 Na2 65.59(13) . . ?
Bi2 O17 Na1 114.0(4) . 2 ?
I6 O17 Bi2 132.3(5) 2_545 . ?
I6 O17 Na1 97.5(4) 2_545 2 ?
I1 O3 Bi1 139.4(5) . . ?
I2 O8 Bi1 123.6(4) . 1_545 ?
I7 O18 Bi2 136.7(4) . . ?
I2 O7 I3 135.1(5) . . ?
I2 O6 Bi1 140.7(5) . . ?
I3 O9 Bi1 141.4(5) . 2_534 ?
Bi1 O10 Na2 113.7(4) 2_544 . ?
I3 O10 Bi1 128.4(4) . 2_544 ?
I3 O10 Na2 110.4(4) . . ?
I3 O5 Bi1 130.6(4) . . ?
I4 O11 Na2 123.9(6) . . ?
I4 O11 Na1 104.5(4) . . ?
Na2 O11 Na1 105.8(4) . . ?
I4 O4 Bi1 120.2(4) . . ?
I4 O4 Na2 135.2(5) . 2_545 ?
Na2 O4 Bi1 102.5(3) 2_545 . ?
I4 O13 Na2 108.0(4) . 1_565 ?
I4 O13 Na1 96.8(4) . . ?
Na1 O13 Na2 88.4(3) . 1_565 ?
I5 O14 Bi2 124.4(4) . 2_544 ?
I5 O14 Na2 116.7(4) . . ?
I5 O14 Na1 104.9(4) . . ?
Na2 O14 Bi2 104.9(3) . 2_544 ?
Na2 O14 Na1 102.2(4) . . ?
Na1 O14 Bi2 100.2(3) . 2_544 ?
Bi1 O12 Na2 123.4(3) 2_544 1_565 ?
I5 O12 Bi1 127.7(4) . 2_544 ?
I5 O12 Na2 102.2(4) . 1_565 ?
Bi2 O1AA Na2 105.5(4) 2_554 1_565 ?
Bi2 O1AA Na1 108.6(3) 2_554 . ?
I5 O1AA Bi2 144.4(4) . 2_554 ?
I5 O1AA Na2 101.4(4) . 1_565 ?
I5 O1AA Na1 93.0(4) . . ?
Na2 O1AA Na1 92.4(3) 1_565 . ?
I3 Na2 I4 66.65(9) . . ?
I3 Na2 I5 116.59(14) . . ?
I3 Na2 Na1 120.40(16) . . ?
I4 Na2 I5 78.75(9) . . ?
I4 Na2 Na1 53.75(11) . . ?
I5 Na2 I3 115.00(14) 1_545 . ?
I5 Na2 I4 173.76(19) 1_545 . ?
I5 Na2 I5 105.02(14) 1_545 . ?
I5 Na2 Na1 124.29(18) 1_545 . ?
I5 Na2 Na1 54.45(11) . . ?
O10 Na2 I3 28.5(2) . . ?
O10 Na2 I4 55.2(2) . . ?
O10 Na2 I5 129.2(3) . 1_545 ?
O10 Na2 I5 88.1(2) . . ?
O10 Na2 O4 67.9(3) . 2_544 ?
O10 Na2 O13 103.7(3) . 1_545 ?
O10 Na2 O12 102.0(3) . 1_545 ?
O10 Na2 O1AA 157.7(4) . 1_545 ?
O10 Na2 Na1 103.5(3) . . ?
O11 Na2 I3 85.2(3) . . ?
O11 Na2 I4 23.8(3) . . ?
O11 Na2 I5 150.7(3) . 1_545 ?
O11 Na2 I5 81.9(3) . . ?
O11 Na2 O10 78.7(4) . . ?
O11 Na2 O4 119.8(4) . 2_544 ?
O11 Na2 O13 71.2(3) . 1_545 ?
O11 Na2 O14 75.9(3) . . ?
O11 Na2 O12 152.6(4) . 1_545 ?
O11 Na2 O1AA 122.8(4) . 1_545 ?
O11 Na2 Na1 38.3(3) . . ?
O4 Na2 I3 87.4(3) 2_544 . ?
O4 Na2 I4 102.4(3) 2_544 . ?
O4 Na2 I5 83.8(2) 2_544 1_545 ?
O4 Na2 I5 49.7(2) 2_544 . ?
O4 Na2 O13 162.5(4) 2_544 1_545 ?
O4 Na2 Na1 103.6(3) 2_544 . ?
O13 Na2 I3 79.7(2) 1_545 . ?
O13 Na2 I4 83.4(2) 1_545 . ?
O13 Na2 I5 147.5(3) 1_545 . ?
O13 Na2 I5 90.9(2) 1_545 1_545 ?
O13 Na2 Na1 93.2(2) 1_545 . ?
O14 Na2 I3 139.6(3) . . ?
O14 Na2 I4 83.6(2) . . ?
O14 Na2 I5 97.6(3) . 1_545 ?
O14 Na2 I5 26.4(2) . . ?
O14 Na2 O10 111.6(3) . . ?
O14 Na2 O4 72.3(3) . 2_544 ?
O14 Na2 O13 125.0(3) . 1_545 ?
O14 Na2 O12 127.0(4) . 1_545 ?
O14 Na2 O1AA 72.4(3) . 1_545 ?
O14 Na2 Na1 39.1(2) . . ?
O12 Na2 I3 83.7(2) 1_545 . ?
O12 Na2 I4 148.9(3) 1_545 . ?
O12 Na2 I5 31.46(19) 1_545 1_545 ?
O12 Na2 I5 125.4(3) 1_545 . ?
O12 Na2 O4 84.6(3) 1_545 2_544 ?
O12 Na2 O13 82.2(3) 1_545 1_545 ?
O12 Na2 O1AA 62.1(3) 1_545 1_545 ?
O12 Na2 Na1 154.4(3) 1_545 . ?
O1AA Na2 I3 145.4(3) 1_545 . ?
O1AA Na2 I4 145.4(3) 1_545 . ?
O1AA Na2 I5 89.3(3) 1_545 . ?
O1AA Na2 I5 31.5(2) 1_545 1_545 ?
O1AA Na2 O4 93.8(3) 1_545 2_544 ?
O1AA Na2 O13 90.2(3) 1_545 1_545 ?
O1AA Na2 Na1 92.9(3) 1_545 . ?
I6 Na1 I6 103.89(16) 1_565 . ?
I4 Na1 I6 110.97(16) . . ?
I4 Na1 I6 115.54(15) . 1_565 ?
I4 Na1 I5 85.40(14) . . ?
I5 Na1 I6 122.32(15) . . ?
I5 Na1 I6 118.21(17) . 1_565 ?
O17 Na1 I6 30.9(2) 2_554 1_565 ?
O17 Na1 I6 128.6(3) 2_554 . ?
O17 Na1 I4 112.4(3) 2_554 . ?
O17 Na1 I5 87.5(2) 2_554 . ?
O17 Na1 O1AA 55.8(3) 2_554 . ?
O17 Na1 O16 127.1(3) 2_554 . ?
O11 Na1 I6 85.5(3) . . ?
O11 Na1 I6 141.2(3) . 1_565 ?
O11 Na1 I4 30.4(2) . . ?
O11 Na1 I5 84.9(3) . . ?
O11 Na1 O17 142.5(4) . 2_554 ?
O11 Na1 O13 61.8(3) . . ?
O11 Na1 O14 73.0(4) . . ?
O11 Na1 O1AA 109.9(4) . . ?
O11 Na1 O16 73.6(4) . . ?
O11 Na1 O21 128.7(4) . 2_554 ?
O13 Na1 I6 129.3(3) . . ?
O13 Na1 I6 84.5(2) . 1_565 ?
O13 Na1 I4 31.8(2) . . ?
O13 Na1 I5 94.0(3) . . ?
O13 Na1 O17 82.2(3) . 2_554 ?
O13 Na1 O1AA 89.0(3) . . ?
O13 Na1 O16 100.9(3) . . ?
O14 Na1 I6 92.6(3) . . ?
O14 Na1 I6 142.0(3) . 1_565 ?
O14 Na1 I4 88.8(3) . . ?
O14 Na1 I5 30.8(2) . . ?
O14 Na1 O17 114.4(3) . 2_554 ?
O14 Na1 O13 111.1(4) . . ?
O14 Na1 O1AA 60.4(3) . . ?
O14 Na1 O16 113.3(3) . . ?
O14 Na1 O21 78.3(3) . 2_554 ?
O1AA Na1 I6 86.6(2) . 1_565 ?
O1AA Na1 I6 140.7(3) . . ?
O1AA Na1 I4 97.4(2) . . ?
O1AA Na1 I5 31.66(18) . . ?
O15 Na1 I6 83.2(3) 1_565 . ?
O15 Na1 I6 29.2(2) 1_565 1_565 ?
O15 Na1 I4 105.5(3) 1_565 . ?
O15 Na1 I5 147.2(3) 1_565 . ?
O15 Na1 O17 59.7(3) 1_565 2_554 ?
O15 Na1 O11 120.0(4) 1_565 . ?
O15 Na1 O13 81.8(3) 1_565 . ?
O15 Na1 O14 165.7(4) 1_565 . ?
O15 Na1 O1AA 115.6(4) 1_565 . ?
O15 Na1 O16 68.4(3) 1_565 . ?
O15 Na1 O21 88.2(4) 1_565 2_554 ?
O16 Na1 I6 29.31(19) . . ?
O16 Na1 I6 96.2(2) . 1_565 ?
O16 Na1 I4 90.0(2) . . ?
O16 Na1 I5 143.7(3) . . ?
O16 Na1 O1AA 170.0(3) . . ?
O21 Na1 I6 54.0(2) 2_554 . ?
O21 Na1 I6 84.1(2) 2_554 1_565 ?
O21 Na1 I4 159.0(3) 2_554 . ?
O21 Na1 I5 91.6(3) 2_554 . ?
O21 Na1 O17 88.1(3) 2_554 2_554 ?
O21 Na1 O13 168.7(4) 2_554 . ?
O21 Na1 O1AA 90.6(3) 2_554 . ?
O21 Na1 O16 80.2(3) 2_554 . ?
Bi2 O15 Na1 115.8(4) 1_545 1_545 ?
I6 O15 Bi2 132.9(5) . 1_545 ?
I6 O15 Na1 111.2(4) . 1_545 ?
Bi2 O16 Na1 95.5(3) . . ?
I6 O16 Bi2 130.3(5) . . ?
I6 O16 Na1 101.5(4) . . ?
I8 O20 I6 136.3(4) . 2_545 ?
Bi2 O21 Na1 97.3(3) 1_565 2 ?
I8 O21 Bi2 122.3(4) . 1_565 ?
I8 O21 Na1 126.1(5) . 2 ?
I8 O19 Bi2 137.3(5) . . ?
O1 I1 O3 98.1(4) . . ?
O2 I1 O3 97.1(4) . . ?
O2 I1 O1 101.3(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.566(4)
2 0.434(4)

####################################################################### 
# 
# 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_KBiI3O10H
_database_code_depnum_ccdc_archive 'CCDC 1884490'
loop_
_audit_author_name
_audit_author_address
'Ying-Jie Jia'
;ShanXi Normal University
China
;
_audit_update_record             
;
2018-12-12 deposited with the CCDC.	2019-06-06 downloaded from the CCDC.
;
_audit_creation_date             2018-03-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Bi H I3 K O10'
_chemical_formula_sum            'Bi H I3 K O10'
_chemical_formula_weight         789.79
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.2662(4)
_cell_length_b                   8.1678(5)
_cell_length_c                   8.8629(5)
_cell_angle_alpha                101.6212(10)
_cell_angle_beta                 93.8011(11)
_cell_angle_gamma                109.3178(10)
_cell_volume                     481.16(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    28.417
_exptl_absorpt_correction_T_max  0.0396
_exptl_absorpt_correction_T_min  0.0189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    5.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_av_unetI/netI     0.0149
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11548
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         28.264
_diffrn_reflns_theta_min         3.153
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2341
_reflns_number_total             2346
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.311
_refine_diff_density_min         -0.834
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       0.0110(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     138
_refine_ls_number_reflns         2346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0175
_refine_ls_R_factor_gt           0.0175
_refine_ls_restrained_S_all      1.133
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0232P)²+1.9280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0458
_refine_ls_wR_factor_ref         0.0458
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Riding coordinates:
 O10(H10)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Bi1 Bi 0.37653(2) 0.05345(2) 0.26934(2) 0.01840(7) Uani 1 1 d . . . . .
I3 I 0.52571(4) 0.39933(4) 0.66719(3) 0.01764(8) Uani 1 1 d . . . . .
I2 I 0.96058(4) 0.25571(4) 0.49357(3) 0.01831(8) Uani 1 1 d . . . . .
I1 I 0.77744(4) 0.34479(4) 0.08497(3) 0.01811(8) Uani 1 1 d . . . . .
O10 O 0.1528(4) 0.1532(4) 0.2056(3) 0.0146(5) Uani 1 1 d . . . . .
H10 H 0.1956 0.2498 0.2756 0.18(6) Uiso 1 1 d R . . . .
O9 O 0.1181(5) -0.0824(5) 0.3984(4) 0.0276(7) Uani 1 1 d . . . . .
O4 O 0.7685(5) 0.1701(5) 0.3282(4) 0.0251(7) Uani 1 1 d . . . . .
O2 O 0.7699(6) 0.4836(5) -0.0462(4) 0.0291(8) Uani 1 1 d . . . . .
O8 O 0.4950(6) 0.1826(5) 0.6983(5) 0.0311(8) Uani 1 1 d . . . . .
O6 O 0.4475(5) 0.3238(5) 0.4565(4) 0.0242(7) Uani 1 1 d . . . . .
O7 O 0.2901(5) 0.4056(5) 0.7197(4) 0.0250(7) Uani 1 1 d . . . . .
O3 O 0.5161(5) 0.2316(5) 0.0900(4) 0.0254(7) Uani 1 1 d . . . . .
O5 O 0.8850(5) 0.4238(5) 0.6102(4) 0.0269(7) Uani 1 1 d . . . . .
O1 O 0.8136(5) 0.1561(5) -0.0441(4) 0.0246(7) Uani 1 1 d . . . . .
K1 K 0.17637(15) 0.14325(13) -0.10672(12) 0.0237(2) 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
Bi1 O10 2.136(3) . ?
Bi1 O9 2.342(3) . ?
Bi1 O4 2.665(3) . ?
Bi1 O8 2.459(3) 2_656 ?
Bi1 O6 2.356(3) . ?
Bi1 O3 2.417(3) . ?
Bi1 O1 2.349(3) 2_655 ?
Bi1 K1 3.8484(11) . ?
Bi1 K1 4.2842(10) 2_655 ?
Bi1 K1 3.8506(10) 2 ?
I3 O8 1.790(3) . ?
I3 O6 1.831(3) . ?
I3 O7 1.817(3) . ?
I3 K1 3.6992(10) 1_556 ?
I2 O9 1.825(3) 2_656 ?
I2 O4 1.804(3) . ?
I2 O5 1.805(3) . ?
I2 K1 4.0330(11) 2_655 ?
I1 O2 1.790(3) . ?
I1 O3 1.824(3) . ?
I1 O1 1.830(3) . ?
I1 K1 4.0464(11) 2_665 ?
I1 K1 4.0843(10) 1_655 ?
O10 K1 2.718(3) 2 ?
O10 K1 2.772(3) . ?
O9 I2 1.825(3) 2_656 ?
O9 K1 3.091(4) 2 ?
O4 K1 3.053(4) 2_655 ?
O2 K1 2.960(4) 2_665 ?
O8 Bi1 2.459(3) 2_656 ?
O8 K1 2.951(4) 1_556 ?
O7 K1 2.822(4) 1_556 ?
O3 K1 2.720(4) . ?
O1 Bi1 2.349(3) 2_655 ?
O1 K1 2.761(4) 1_655 ?
O1 K1 3.032(4) 2_655 ?
K1 I3 3.6992(10) 1_554 ?
K1 O10 2.718(3) 2 ?
K1 O9 3.091(4) 2 ?
K1 O4 3.054(4) 2_655 ?
K1 O2 2.960(4) 2_665 ?
K1 O8 2.951(4) 1_554 ?
K1 O7 2.822(4) 1_554 ?
K1 O1 3.032(4) 2_655 ?
K1 O1 2.761(4) 1_455 ?
K1 K1 3.7525(19) 2 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O10 Bi1 O9 76.69(12) . . ?
O10 Bi1 O4 137.80(11) . . ?
O10 Bi1 O8 154.41(12) . 2_656 ?
O10 Bi1 O6 75.63(12) . . ?
O10 Bi1 O3 76.15(11) . . ?
O10 Bi1 O1 75.04(12) . 2_655 ?
O10 Bi1 K1 144.97(8) . 2_655 ?
O10 Bi1 K1 43.15(8) . 2 ?
O10 Bi1 K1 44.68(8) . . ?
O9 Bi1 O4 135.18(12) . . ?
O9 Bi1 O8 86.70(13) . 2_656 ?
O9 Bi1 O6 89.28(13) . . ?
O9 Bi1 O3 152.64(12) . . ?
O9 Bi1 O1 85.37(13) . 2_655 ?
O9 Bi1 K1 127.82(9) . 2_655 ?
O9 Bi1 K1 110.74(9) . . ?
O9 Bi1 K1 53.37(10) . 2 ?
O4 Bi1 K1 169.52(8) . 2 ?
O4 Bi1 K1 114.01(8) . . ?
O4 Bi1 K1 45.05(8) . 2_655 ?
O8 Bi1 O4 67.06(12) 2_656 . ?
O8 Bi1 K1 41.87(9) 2_656 2_655 ?
O8 Bi1 K1 129.21(10) 2_656 . ?
O8 Bi1 K1 111.25(9) 2_656 2 ?
O6 Bi1 O4 77.91(12) . . ?
O6 Bi1 O8 124.10(13) . 2_656 ?
O6 Bi1 O3 87.25(12) . . ?
O6 Bi1 K1 110.21(9) . 2 ?
O6 Bi1 K1 122.95(9) . 2_655 ?
O6 Bi1 K1 104.12(9) . . ?
O3 Bi1 O4 70.28(11) . . ?
O3 Bi1 O8 117.42(12) . 2_656 ?
O3 Bi1 K1 102.84(8) . 2 ?
O3 Bi1 K1 44.57(8) . . ?
O3 Bi1 K1 75.61(8) . 2_655 ?
O1 Bi1 O4 124.80(11) 2_655 . ?
O1 Bi1 O8 84.44(13) 2_655 2_656 ?
O1 Bi1 O6 150.64(12) 2_655 . ?
O1 Bi1 O3 84.48(12) 2_655 . ?
O1 Bi1 K1 51.98(9) 2_655 . ?
O1 Bi1 K1 82.00(8) 2_655 2_655 ?
O1 Bi1 K1 45.30(8) 2_655 2 ?
K1 Bi1 K1 126.48(3) 2 2_655 ?
K1 Bi1 K1 100.298(19) . 2_655 ?
K1 Bi1 K1 58.34(2) . 2 ?
O8 I3 O6 95.66(17) . . ?
O8 I3 O7 96.66(17) . . ?
O8 I3 K1 51.87(13) . 1_556 ?
O6 I3 K1 113.46(12) . 1_556 ?
O7 I3 O6 96.65(16) . . ?
O7 I3 K1 47.86(11) . 1_556 ?
O9 I2 K1 86.88(12) 2_656 2_655 ?
O4 I2 O9 101.42(17) . 2_656 ?
O4 I2 O5 100.78(17) . . ?
O4 I2 K1 45.52(12) . 2_655 ?
O5 I2 O9 99.31(16) . 2_656 ?
O5 I2 K1 146.11(12) . 2_655 ?
O2 I1 O3 101.92(17) . . ?
O2 I1 O1 101.28(16) . . ?
O2 I1 K1 97.43(12) . 1_655 ?
O2 I1 K1 41.68(12) . 2_665 ?
O3 I1 O1 96.12(16) . . ?
O3 I1 K1 129.38(12) . 1_655 ?
O3 I1 K1 103.68(11) . 2_665 ?
O1 I1 K1 140.60(12) . 2_665 ?
O1 I1 K1 33.89(11) . 1_655 ?
K1 I1 K1 121.233(16) 2_665 1_655 ?
Bi1 O10 K1 104.33(11) . 2 ?
Bi1 O10 K1 102.50(11) . . ?
K1 O10 K1 86.24(9) 2 . ?
Bi1 O9 K1 89.18(11) . 2 ?
I2 O9 Bi1 141.67(19) 2_656 . ?
I2 O9 K1 113.49(16) 2_656 2 ?
Bi1 O4 K1 96.81(11) . 2_655 ?
I2 O4 Bi1 138.99(18) . . ?
I2 O4 K1 109.56(15) . 2_655 ?
I1 O2 K1 114.61(16) . 2_665 ?
Bi1 O8 K1 104.34(12) 2_656 1_556 ?
I3 O8 Bi1 152.0(2) . 2_656 ?
I3 O8 K1 99.64(16) . 1_556 ?
I3 O6 Bi1 135.37(18) . . ?
I3 O7 K1 103.61(15) . 1_556 ?
Bi1 O3 K1 96.86(11) . . ?
I1 O3 Bi1 126.63(17) . . ?
I1 O3 K1 135.47(17) . . ?
Bi1 O1 K1 97.49(11) 2_655 1_655 ?
Bi1 O1 K1 90.40(11) 2_655 2_655 ?
I1 O1 Bi1 132.76(18) . 2_655 ?
I1 O1 K1 114.96(15) . 2_655 ?
I1 O1 K1 124.41(16) . 1_655 ?
K1 O1 K1 80.61(9) 1_655 2_655 ?
I3 K1 K1 176.35(5) 1_554 2 ?
O10 K1 I3 136.07(7) . 1_554 ?
O10 K1 I3 130.05(7) 2 1_554 ?
O10 K1 O10 93.76(9) 2 . ?
O10 K1 O9 135.59(9) . 2 ?
O10 K1 O9 56.82(9) 2 2 ?
O10 K1 O4 122.15(9) . 2_655 ?
O10 K1 O4 64.61(9) 2 2_655 ?
O10 K1 O2 131.60(11) 2 2_665 ?
O10 K1 O2 73.59(9) . 2_665 ?
O10 K1 O8 116.81(10) 2 1_554 ?
O10 K1 O8 135.08(10) . 1_554 ?
O10 K1 O7 134.33(10) . 1_554 ?
O10 K1 O7 121.66(10) 2 1_554 ?
O10 K1 O3 135.07(10) 2 . ?
O10 K1 O1 67.65(9) 2 2_655 ?
O10 K1 O1 59.93(9) 2 1_455 ?
O10 K1 O1 56.06(9) . 2_655 ?
O10 K1 K1 46.29(7) . 2 ?
O10 K1 K1 47.48(7) 2 2 ?
O9 K1 I3 81.72(7) 2 1_554 ?
O9 K1 K1 97.53(7) 2 2 ?
O4 K1 I3 81.62(7) 2_655 1_554 ?
O4 K1 O9 77.73(10) 2_655 2 ?
O4 K1 K1 94.73(7) 2_655 2 ?
O2 K1 I3 77.86(7) 2_665 1_554 ?
O2 K1 O9 100.40(11) 2_665 2 ?
O2 K1 O4 159.44(10) 2_665 2_655 ?
O2 K1 O1 128.33(10) 2_665 2_655 ?
O2 K1 K1 105.80(8) 2_665 2 ?
O8 K1 I3 28.49(7) 1_554 1_554 ?
O8 K1 O9 89.33(10) 1_554 2 ?
O8 K1 O4 56.32(10) 1_554 2_655 ?
O8 K1 O2 103.41(11) 1_554 2_665 ?
O8 K1 O1 104.21(10) 1_554 2_655 ?
O8 K1 K1 148.18(8) 1_554 2 ?
O7 K1 I3 28.52(7) 1_554 1_554 ?
O7 K1 O9 65.04(10) 1_554 2 ?
O7 K1 O4 100.12(10) 1_554 2_655 ?
O7 K1 O2 61.52(10) 1_554 2_665 ?
O7 K1 O8 55.59(10) 1_554 1_554 ?
O7 K1 O1 159.56(10) 1_554 2_655 ?
O7 K1 K1 153.68(9) 1_554 2 ?
O3 K1 I3 81.09(7) . 1_554 ?
O3 K1 O10 61.70(9) . . ?
O3 K1 O9 162.33(10) . 2 ?
O3 K1 O4 95.71(10) . 2_655 ?
O3 K1 O2 79.93(11) . 2_665 ?
O3 K1 O8 73.55(11) . 1_554 ?
O3 K1 O7 100.63(11) . 1_554 ?
O3 K1 O1 129.98(11) . 1_455 ?
O3 K1 O1 67.44(10) . 2_655 ?
O3 K1 K1 99.36(8) . 2 ?
O1 K1 I3 131.08(7) 2_655 1_554 ?
O1 K1 I3 129.41(8) 1_455 1_554 ?
O1 K1 O10 70.97(10) 1_455 . ?
O1 K1 O9 122.62(10) 2_655 2 ?
O1 K1 O9 65.56(10) 1_455 2 ?
O1 K1 O4 66.14(9) 2_655 2_655 ?
O1 K1 O4 123.80(10) 1_455 2_655 ?
O1 K1 O2 71.87(11) 1_455 2_665 ?
O1 K1 O8 152.31(11) 1_455 1_554 ?
O1 K1 O7 100.91(11) 1_455 1_554 ?
O1 K1 O1 99.39(9) 1_455 2_655 ?
O1 K1 K1 46.54(7) 2_655 2 ?
O1 K1 K1 52.86(8) 1_455 2 ?

_olex2_submission_special_instructions 'No special instructions were received'
