# Supplementary Information (SI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_230505b
_database_code_depnum_ccdc_archive 'CCDC 2385937'
loop_
_audit_author_name
_audit_author_address
'Huawei Zhou'
;Liaocheng University
China
;
_audit_update_record             
;
2024-09-23 deposited with the CCDC.	2024-11-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        Cs2AgBiCl6
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Ag Bi Cl6 Cs2'
_chemical_formula_weight         795.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Cubic
_symmetry_space_group_name_H-M   'Fm-3m '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x, z'
'x, -y, -z'
'z, x, y'
'-x, -y, z'
'-y, -x, -z'
'y, x, -z'
'z, -y, x'
'-x, z, y'
'-z, x, -y'
'z, -x, -y'
'y, z, x'
'y, -x, z'
'-x, y, -z'
'-z, -x, y'
'-z, -y, -x'
'-x, -z, -y'
'z, y, -x'
'x, z, -y'
'-z, y, x'
'-y, -z, x'
'y, -z, -x'
'-y, z, -x'
'x, -z, y'
'x, y+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'-x, -y+1/2, z+1/2'
'-y, -x+1/2, -z+1/2'
'y, x+1/2, -z+1/2'
'z, -y+1/2, x+1/2'
'-x, z+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'z, -x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'y, -x+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'-z, -x+1/2, y+1/2'
'-z, -y+1/2, -x+1/2'
'-x, -z+1/2, -y+1/2'
'z, y+1/2, -x+1/2'
'x, z+1/2, -y+1/2'
'-z, y+1/2, x+1/2'
'-y, -z+1/2, x+1/2'
'y, -z+1/2, -x+1/2'
'-y, z+1/2, -x+1/2'
'x, -z+1/2, y+1/2'
'x+1/2, y, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'-x+1/2, -y, z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, x, -z+1/2'
'z+1/2, -y, x+1/2'
'-x+1/2, z, y+1/2'
'-z+1/2, x, -y+1/2'
'z+1/2, -x, -y+1/2'
'y+1/2, z, x+1/2'
'y+1/2, -x, z+1/2'
'-x+1/2, y, -z+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, -y, -x+1/2'
'-x+1/2, -z, -y+1/2'
'z+1/2, y, -x+1/2'
'x+1/2, z, -y+1/2'
'-z+1/2, y, x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, z, -x+1/2'
'x+1/2, -z, y+1/2'
'x+1/2, y+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'-x+1/2, -y+1/2, z'
'-y+1/2, -x+1/2, -z'
'y+1/2, x+1/2, -z'
'z+1/2, -y+1/2, x'
'-x+1/2, z+1/2, y'
'-z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, -y'
'y+1/2, z+1/2, x'
'y+1/2, -x+1/2, z'
'-x+1/2, y+1/2, -z'
'-z+1/2, -x+1/2, y'
'-z+1/2, -y+1/2, -x'
'-x+1/2, -z+1/2, -y'
'z+1/2, y+1/2, -x'
'x+1/2, z+1/2, -y'
'-z+1/2, y+1/2, x'
'-y+1/2, -z+1/2, x'
'y+1/2, -z+1/2, -x'
'-y+1/2, z+1/2, -x'
'x+1/2, -z+1/2, y'
'-x, -y, -z'
'y, -x, -z'
'-x, y, z'
'-z, -x, -y'
'x, y, -z'
'y, x, z'
'-y, -x, z'
'-z, y, -x'
'x, -z, -y'
'z, -x, y'
'-z, x, y'
'-y, -z, -x'
'-y, x, -z'
'x, -y, z'
'z, x, -y'
'z, y, x'
'x, z, y'
'-z, -y, x'
'-x, -z, y'
'z, -y, -x'
'y, z, -x'
'-y, z, x'
'y, -z, x'
'-x, z, -y'
'-x, -y+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'x, y+1/2, -z+1/2'
'y, x+1/2, z+1/2'
'-y, -x+1/2, z+1/2'
'-z, y+1/2, -x+1/2'
'x, -z+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-z, x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'-y, x+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'z, x+1/2, -y+1/2'
'z, y+1/2, x+1/2'
'x, z+1/2, y+1/2'
'-z, -y+1/2, x+1/2'
'-x, -z+1/2, y+1/2'
'z, -y+1/2, -x+1/2'
'y, z+1/2, -x+1/2'
'-y, z+1/2, x+1/2'
'y, -z+1/2, x+1/2'
'-x, z+1/2, -y+1/2'
'-x+1/2, -y, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'x+1/2, y, -z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, -x, z+1/2'
'-z+1/2, y, -x+1/2'
'x+1/2, -z, -y+1/2'
'z+1/2, -x, y+1/2'
'-z+1/2, x, y+1/2'
'-y+1/2, -z, -x+1/2'
'-y+1/2, x, -z+1/2'
'x+1/2, -y, z+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, y, x+1/2'
'x+1/2, z, y+1/2'
'-z+1/2, -y, x+1/2'
'-x+1/2, -z, y+1/2'
'z+1/2, -y, -x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, -z, x+1/2'
'-x+1/2, z, -y+1/2'
'-x+1/2, -y+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'x+1/2, y+1/2, -z'
'y+1/2, x+1/2, z'
'-y+1/2, -x+1/2, z'
'-z+1/2, y+1/2, -x'
'x+1/2, -z+1/2, -y'
'z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, y'
'-y+1/2, -z+1/2, -x'
'-y+1/2, x+1/2, -z'
'x+1/2, -y+1/2, z'
'z+1/2, x+1/2, -y'
'z+1/2, y+1/2, x'
'x+1/2, z+1/2, y'
'-z+1/2, -y+1/2, x'
'-x+1/2, -z+1/2, y'
'z+1/2, -y+1/2, -x'
'y+1/2, z+1/2, -x'
'-y+1/2, z+1/2, x'
'y+1/2, -z+1/2, x'
'-x+1/2, z+1/2, -y'

_cell_length_a                   10.7930(8)
_cell_length_b                   10.7930(8)
_cell_length_c                   10.7930(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1257.26(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    584
_cell_measurement_theta_min      3.267
_cell_measurement_theta_max      28.052

_exptl_crystal_description       cube
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    4.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1368
_exptl_absorpt_coefficient_mu    22.458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0938
_exptl_absorpt_correction_T_max  0.1583
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            83
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.3313
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       1
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.27
_diffrn_reflns_theta_max         24.94
_reflns_number_total             83
_reflns_number_gt                52
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+237.1253P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   constr
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         83
_refine_ls_number_parameters     8
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1557
_refine_ls_R_factor_gt           0.1119
_refine_ls_wR_factor_ref         0.2716
_refine_ls_wR_factor_gt          0.2493
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_restrained_S_all      1.161
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.5000 1.0000 0.5000 0.020(3) Uani 1 48 d S . .
Ag1 Ag 0.5000 1.0000 0.0000 0.037(5) Uani 1 48 d S . .
Cs1 Cs 0.2500 0.7500 0.2500 0.049(4) Uani 1 24 d S . .
Cl1 Cl 0.5000 1.0000 0.2522(13) 0.029(5) Uani 1 8 d S . .


_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 Cl1 2.675(14) 33_654 ?
Bi1 Cl1 2.675(14) 129_566 ?
Bi1 Cl1 2.675(14) 124_666 ?
Bi1 Cl1 2.675(14) 28_554 ?
Bi1 Cl1 2.675(14) 97_676 ?
Bi1 Cl1 2.675(14) . ?
Bi1 Cs1 4.6735(3) 97_676 ?
Bi1 Cs1 4.6735(3) 121_665 ?
Bi1 Cs1 4.6735(3) 145_575 ?
Bi1 Cs1 4.6735(3) 169_566 ?
Bi1 Cs1 4.6735(3) 73 ?
Bi1 Cs1 4.6735(3) 49 ?
Ag1 Cl1 2.722(14) 76_554 ?
Ag1 Cl1 2.722(14) . ?
Ag1 Cl1 2.722(14) 97_675 ?
Ag1 Cl1 2.722(14) 105_566 ?
Ag1 Cl1 2.722(14) 172_566 ?
Ag1 Cl1 2.722(14) 9_664 ?
Cs1 Cl1 3.8160(3) 33_654 ?
Cs1 Cl1 3.8160(3) 28_554 ?
Cs1 Cl1 3.8160(3) . ?
Cs1 Cl1 3.8160(3) 81_554 ?
Cs1 Cl1 3.8160(3) 4_554 ?
Cs1 Cl1 3.8160(3) 73_445 ?
Cs1 Cl1 3.8160(3) 105_566 ?
Cs1 Cl1 3.8160(3) 153_466 ?
Cs1 Cl1 3.8160(3) 172_566 ?
Cs1 Cl1 3.8160(3) 148_566 ?
Cs1 Cl1 3.8160(3) 145_575 ?
Cs1 Cl1 3.8160(3) 121_665 ?
Cl1 Cs1 3.8160(3) 73 ?
Cl1 Cs1 3.8160(3) 145_575 ?
Cl1 Cs1 3.8160(3) 121_665 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Bi1 Cl1 180.000(2) 33_654 129_566 ?
Cl1 Bi1 Cl1 90.000(1) 33_654 124_666 ?
Cl1 Bi1 Cl1 90.000(4) 129_566 124_666 ?
Cl1 Bi1 Cl1 90.000(4) 33_654 28_554 ?
Cl1 Bi1 Cl1 90.000(3) 129_566 28_554 ?
Cl1 Bi1 Cl1 180.0 124_666 28_554 ?
Cl1 Bi1 Cl1 90.000(1) 33_654 97_676 ?
Cl1 Bi1 Cl1 90.0 129_566 97_676 ?
Cl1 Bi1 Cl1 90.000(1) 124_666 97_676 ?
Cl1 Bi1 Cl1 90.000(1) 28_554 97_676 ?
Cl1 Bi1 Cl1 90.000(1) 33_654 . ?
Cl1 Bi1 Cl1 90.0 129_566 . ?
Cl1 Bi1 Cl1 90.000(1) 124_666 . ?
Cl1 Bi1 Cl1 90.000(2) 28_554 . ?
Cl1 Bi1 Cl1 180.000(1) 97_676 . ?
Cl1 Bi1 Cs1 125.264(1) 33_654 97_676 ?
Cl1 Bi1 Cs1 54.736(1) 129_566 97_676 ?
Cl1 Bi1 Cs1 54.7 124_666 97_676 ?
Cl1 Bi1 Cs1 125.264(1) 28_554 97_676 ?
Cl1 Bi1 Cs1 54.736(2) 97_676 97_676 ?
Cl1 Bi1 Cs1 125.264(1) . 97_676 ?
Cl1 Bi1 Cs1 54.736(1) 33_654 121_665 ?
Cl1 Bi1 Cs1 125.264(1) 129_566 121_665 ?
Cl1 Bi1 Cs1 54.7 124_666 121_665 ?
Cl1 Bi1 Cs1 125.264(1) 28_554 121_665 ?
Cl1 Bi1 Cs1 125.264(1) 97_676 121_665 ?
Cl1 Bi1 Cs1 54.736(1) . 121_665 ?
Cs1 Bi1 Cs1 109.5 97_676 121_665 ?
Cl1 Bi1 Cs1 125.264(1) 33_654 145_575 ?
Cl1 Bi1 Cs1 54.736(1) 129_566 145_575 ?
Cl1 Bi1 Cs1 125.3 124_666 145_575 ?
Cl1 Bi1 Cs1 54.7 28_554 145_575 ?
Cl1 Bi1 Cs1 125.264(1) 97_676 145_575 ?
Cl1 Bi1 Cs1 54.736(1) . 145_575 ?
Cs1 Bi1 Cs1 109.5 97_676 145_575 ?
Cs1 Bi1 Cs1 109.5 121_665 145_575 ?
Cl1 Bi1 Cs1 54.736(1) 33_654 169_566 ?
Cl1 Bi1 Cs1 125.264(1) 129_566 169_566 ?
Cl1 Bi1 Cs1 125.3 124_666 169_566 ?
Cl1 Bi1 Cs1 54.7 28_554 169_566 ?
Cl1 Bi1 Cs1 54.736(2) 97_676 169_566 ?
Cl1 Bi1 Cs1 125.264(1) . 169_566 ?
Cs1 Bi1 Cs1 109.5 97_676 169_566 ?
Cs1 Bi1 Cs1 109.5 121_665 169_566 ?
Cs1 Bi1 Cs1 109.5 145_575 169_566 ?
Cl1 Bi1 Cs1 125.264(1) 33_654 73 ?
Cl1 Bi1 Cs1 54.736(1) 129_566 73 ?
Cl1 Bi1 Cs1 54.7 124_666 73 ?
Cl1 Bi1 Cs1 125.3 28_554 73 ?
Cl1 Bi1 Cs1 125.264(2) 97_676 73 ?
Cl1 Bi1 Cs1 54.736(1) . 73 ?
Cs1 Bi1 Cs1 70.5 97_676 73 ?
Cs1 Bi1 Cs1 70.5 121_665 73 ?
Cs1 Bi1 Cs1 70.5 145_575 73 ?
Cs1 Bi1 Cs1 180.0 169_566 73 ?
Cl1 Bi1 Cs1 54.736(1) 33_654 49 ?
Cl1 Bi1 Cs1 125.264(1) 129_566 49 ?
Cl1 Bi1 Cs1 54.7 124_666 49 ?
Cl1 Bi1 Cs1 125.3 28_554 49 ?
Cl1 Bi1 Cs1 54.736(1) 97_676 49 ?
Cl1 Bi1 Cs1 125.264(1) . 49 ?
Cs1 Bi1 Cs1 70.5 97_676 49 ?
Cs1 Bi1 Cs1 70.5 121_665 49 ?
Cs1 Bi1 Cs1 180.0 145_575 49 ?
Cs1 Bi1 Cs1 70.5 169_566 49 ?
Cs1 Bi1 Cs1 109.5 73 49 ?
Cl1 Ag1 Cl1 90.000(1) 76_554 . ?
Cl1 Ag1 Cl1 90.000(1) 76_554 97_675 ?
Cl1 Ag1 Cl1 180.000(1) . 97_675 ?
Cl1 Ag1 Cl1 90.000(1) 76_554 105_566 ?
Cl1 Ag1 Cl1 90.0 . 105_566 ?
Cl1 Ag1 Cl1 90.0 97_675 105_566 ?
Cl1 Ag1 Cl1 180.0 76_554 172_566 ?
Cl1 Ag1 Cl1 90.0 . 172_566 ?
Cl1 Ag1 Cl1 90.000(2) 97_675 172_566 ?
Cl1 Ag1 Cl1 90.000(2) 105_566 172_566 ?
Cl1 Ag1 Cl1 90.000(1) 76_554 9_664 ?
Cl1 Ag1 Cl1 90.0 . 9_664 ?
Cl1 Ag1 Cl1 90.0 97_675 9_664 ?
Cl1 Ag1 Cl1 180.000(1) 105_566 9_664 ?
Cl1 Ag1 Cl1 90.000(1) 172_566 9_664 ?
Cl1 Cs1 Cl1 59.4(3) 33_654 28_554 ?
Cl1 Cs1 Cl1 59.4(3) 33_654 . ?
Cl1 Cs1 Cl1 59.4(3) 28_554 . ?
Cl1 Cs1 Cl1 179.3(4) 33_654 81_554 ?
Cl1 Cs1 Cl1 119.999(2) 28_554 81_554 ?
Cl1 Cs1 Cl1 119.999(2) . 81_554 ?
Cl1 Cs1 Cl1 119.999(2) 33_654 4_554 ?
Cl1 Cs1 Cl1 179.3(4) 28_554 4_554 ?
Cl1 Cs1 Cl1 119.999(2) . 4_554 ?
Cl1 Cs1 Cl1 60.6(3) 81_554 4_554 ?
Cl1 Cs1 Cl1 119.999(1) 33_654 73_445 ?
Cl1 Cs1 Cl1 119.999(2) 28_554 73_445 ?
Cl1 Cs1 Cl1 179.3(4) . 73_445 ?
Cl1 Cs1 Cl1 60.6(3) 81_554 73_445 ?
Cl1 Cs1 Cl1 60.6(3) 4_554 73_445 ?
Cl1 Cs1 Cl1 90.002(4) 33_654 105_566 ?
Cl1 Cs1 Cl1 119.999(1) 28_554 105_566 ?
Cl1 Cs1 Cl1 60.6(3) . 105_566 ?
Cl1 Cs1 Cl1 90.002(3) 81_554 105_566 ?
Cl1 Cs1 Cl1 59.4(3) 4_554 105_566 ?
Cl1 Cs1 Cl1 119.999(2) 73_445 105_566 ?
Cl1 Cs1 Cl1 90.002(3) 33_654 153_466 ?
Cl1 Cs1 Cl1 60.6(3) 28_554 153_466 ?
Cl1 Cs1 Cl1 119.999(2) . 153_466 ?
Cl1 Cs1 Cl1 90.002(4) 81_554 153_466 ?
Cl1 Cs1 Cl1 119.999(2) 4_554 153_466 ?
Cl1 Cs1 Cl1 59.4(3) 73_445 153_466 ?
Cl1 Cs1 Cl1 179.3(4) 105_566 153_466 ?
Cl1 Cs1 Cl1 119.999(1) 33_654 172_566 ?
Cl1 Cs1 Cl1 90.002(3) 28_554 172_566 ?
Cl1 Cs1 Cl1 60.6(3) . 172_566 ?
Cl1 Cs1 Cl1 59.4(3) 81_554 172_566 ?
Cl1 Cs1 Cl1 90.002(3) 4_554 172_566 ?
Cl1 Cs1 Cl1 119.999(2) 73_445 172_566 ?
Cl1 Cs1 Cl1 60.6(3) 105_566 172_566 ?
Cl1 Cs1 Cl1 119.999(2) 153_466 172_566 ?
Cl1 Cs1 Cl1 60.6(3) 33_654 148_566 ?
Cl1 Cs1 Cl1 90.002(3) 28_554 148_566 ?
Cl1 Cs1 Cl1 119.999(1) . 148_566 ?
Cl1 Cs1 Cl1 119.999(2) 81_554 148_566 ?
Cl1 Cs1 Cl1 90.002(3) 4_554 148_566 ?
Cl1 Cs1 Cl1 59.4(3) 73_445 148_566 ?
Cl1 Cs1 Cl1 119.999(1) 105_566 148_566 ?
Cl1 Cs1 Cl1 59.4(3) 153_466 148_566 ?
Cl1 Cs1 Cl1 179.3(4) 172_566 148_566 ?
Cl1 Cs1 Cl1 119.999(2) 33_654 145_575 ?
Cl1 Cs1 Cl1 60.6(3) 28_554 145_575 ?
Cl1 Cs1 Cl1 90.002(3) . 145_575 ?
Cl1 Cs1 Cl1 59.4(3) 81_554 145_575 ?
Cl1 Cs1 Cl1 119.999(2) 4_554 145_575 ?
Cl1 Cs1 Cl1 90.002(4) 73_445 145_575 ?
Cl1 Cs1 Cl1 119.999(1) 105_566 145_575 ?
Cl1 Cs1 Cl1 60.6(3) 153_466 145_575 ?
Cl1 Cs1 Cl1 59.4(3) 172_566 145_575 ?
Cl1 Cs1 Cl1 119.999(1) 148_566 145_575 ?
Cl1 Cs1 Cl1 60.6(3) 33_654 121_665 ?
Cl1 Cs1 Cl1 119.999(1) 28_554 121_665 ?
Cl1 Cs1 Cl1 90.002(4) . 121_665 ?
Cl1 Cs1 Cl1 119.999(2) 81_554 121_665 ?
Cl1 Cs1 Cl1 59.4(3) 4_554 121_665 ?
Cl1 Cs1 Cl1 90.002(3) 73_445 121_665 ?
Cl1 Cs1 Cl1 59.4(3) 105_566 121_665 ?
Cl1 Cs1 Cl1 119.999(1) 153_466 121_665 ?
Cl1 Cs1 Cl1 119.999(2) 172_566 121_665 ?
Cl1 Cs1 Cl1 60.6(3) 148_566 121_665 ?
Cl1 Cs1 Cl1 179.3(4) 145_575 121_665 ?
Bi1 Cl1 Ag1 180.0 . . ?
Bi1 Cl1 Cs1 90.3(2) . . ?
Ag1 Cl1 Cs1 89.7(2) . . ?
Bi1 Cl1 Cs1 90.3(2) . 73 ?
Ag1 Cl1 Cs1 89.7(2) . 73 ?
Cs1 Cl1 Cs1 179.3(4) . 73 ?
Bi1 Cl1 Cs1 90.3(2) . 145_575 ?
Ag1 Cl1 Cs1 89.7(2) . 145_575 ?
Cs1 Cl1 Cs1 89.998(3) . 145_575 ?
Cs1 Cl1 Cs1 89.998(3) 73 145_575 ?
Bi1 Cl1 Cs1 90.3(2) . 121_665 ?
Ag1 Cl1 Cs1 89.7(2) . 121_665 ?
Cs1 Cl1 Cs1 89.998(3) . 121_665 ?
Cs1 Cl1 Cs1 89.998(3) 73 121_665 ?
Cs1 Cl1 Cs1 179.3(4) 145_575 121_665 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        24.94
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         3.218
_refine_diff_density_min         -4.198
_refine_diff_density_rms         0.680
