#------------------------------------------------------------------------------
#$Date: 2024-11-22 04:20:47 +0200 (Fri, 22 Nov 2024) $
#$Revision: 296058 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/96/7249637.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7249637
loop_
_publ_author_name
'Gao, Huidan'
'Wang, Chen'
'Shen, Huimeng'
'Zhou, Huawei'
'Zhang, Xianxi'
_publ_section_title
;
 Crystal structure, bandgap, photoluminescence and resistivity properties
 of double perovskite Cs2AgBiCl6 single crystal and its thin film
;
_journal_issue                   50
_journal_name_full               'RSC Advances'
_journal_page_first              37322
_journal_page_last               37329
_journal_paper_doi               10.1039/D4RA06936F
_journal_volume                  14
_journal_year                    2024
_chemical_formula_sum            'Ag Bi Cl6 Cs2'
_chemical_formula_weight         795.37
_chemical_name_systematic        Cs2AgBiCl6
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   'F m -3 m'
_atom_sites_solution_hydrogens   constr
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2024-09-23 deposited with the CCDC.	2024-11-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7930(8)
_cell_length_b                   10.7930(8)
_cell_length_c                   10.7930(8)
_cell_measurement_reflns_used    584
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.052
_cell_measurement_theta_min      3.267
_cell_volume                     1257.26(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.3313
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       1
_diffrn_reflns_number            83
_diffrn_reflns_theta_full        24.94
_diffrn_reflns_theta_max         24.94
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    22.458
_exptl_absorpt_correction_T_max  0.1583
_exptl_absorpt_correction_T_min  0.0938
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    4.202
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         3.218
_refine_diff_density_min         -4.198
_refine_diff_density_rms         0.680
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     8
_refine_ls_number_reflns         83
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.1557
_refine_ls_R_factor_gt           0.1119
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+237.1253P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2493
_refine_ls_wR_factor_ref         0.2716
_reflns_number_gt                52
_reflns_number_total             83
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d4ra06936f2.cif
_cod_data_source_block           230505b
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Cubic' was changed to
'cubic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_sg_symbol_H-M      'Fm-3m '
_cod_database_code               7249637
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'
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 . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Bi1 0.020(3) 0.020(3) 0.020(3) 0.000 0.000 0.000
Ag1 0.037(5) 0.037(5) 0.037(5) 0.000 0.000 0.000
Cs1 0.049(4) 0.049(4) 0.049(4) 0.000 0.000 0.000
Cl1 0.037(7) 0.037(7) 0.011(7) 0.000 0.000 0.000
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'
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 ?
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 ?