#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:47:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179306 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/03/4320330.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_4320330
loop_
_publ_author_name
'Franck Gascoin'
'Slavi C. Sevov'
_publ_section_title
;
 Synthesis and Characterization of the "Metallic Salts" A5Pn4 (A = K, Rb,
 Cs and Pn = As, Sb, Bi) with Isolated Zigzag Tetramers of Pn44- and an
 Extra Delocalized Electron
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5177
_journal_page_last               5181
_journal_paper_doi               10.1021/ic0104499
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         Cs5Bi4
_chemical_formula_sum            'Bi4 Cs5'
_chemical_formula_weight         1500.47
_chemical_melting_point          ?
_chemical_name_common            Cs5Bi4
_chemical_name_systematic
;
   ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.942(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8867(10)
_cell_length_b                   6.3232(10)
_cell_length_c                   12.6363(14)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.858
_cell_measurement_theta_min      3.73
_cell_volume                     864.1(2)
_computing_cell_refinement       'CAD4_(Enraf Nonius,_1977)'
_computing_data_collection       'CAD4_(Enraf Nonius,_1977)'
_computing_data_reduction        SDS_Package_(Enraf-Nonius,_1985)
_computing_molecular_graphics    'SHELXTL (Siemens, 1994)'
_computing_publication_material  'SHELXTL (Siemens, 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  Enraf_Nonius_CAD4
_diffrn_measurement_method       omega-2theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            840
_diffrn_reflns_theta_full        24.96
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         3.16
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    50.942
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.0993
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Xabs
_exptl_crystal_colour            'gray, metallic luster'
_exptl_crystal_density_diffrn    5.767
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1214
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         5.011
_refine_diff_density_min         -4.477
_refine_diff_density_rms         1.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_reflns         840
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1557
_refine_ls_R_factor_gt           0.0896
_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/[σ²(Fo²)+(0.1642P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2194
_refine_ls_wR_factor_ref         0.2553
_reflns_number_gt                529
_reflns_number_total             840
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0104499_6.cif
_cod_data_source_block           Cs5Bi4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        864.12(18)
_cod_database_code               4320330
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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 0.1080(2) 0.0000 0.1366(2) 0.0326(8) Uani 1 2 d S . .
Bi2 Bi 0.0009(2) 0.0000 0.2938(2) 0.0282(8) Uani 1 2 d S . .
Cs1 Cs 0.3629(4) 0.0000 0.0542(4) 0.0307(10) Uani 1 2 d S . .
Cs2 Cs 0.2320(4) 0.5000 0.3468(4) 0.0371(11) Uani 1 2 d S . .
Cs3 Cs 0.0313(12) 0.5000 0.5230(17) 0.049(4) Uani 0.50 2 d SP . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cs Cs -0.3680 2.1192 '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'
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
Bi2 Bi1 Bi1 106.77(12) . 5 ?
Bi2 Bi1 Cs2 73.14(7) . 1_545 ?
Bi1 Bi1 Cs2 124.15(6) 5 1_545 ?
Bi2 Bi1 Cs2 73.14(7) . . ?
Bi1 Bi1 Cs2 124.15(6) 5 . ?
Cs2 Bi1 Cs2 109.50(12) 1_545 . ?
Bi2 Bi1 Cs1 158.67(11) . . ?
Bi1 Bi1 Cs1 94.56(11) 5 . ?
Cs2 Bi1 Cs1 95.09(8) 1_545 . ?
Cs2 Bi1 Cs1 95.09(8) . . ?
Bi2 Bi1 Cs1 127.96(5) . 7_545 ?
Bi1 Bi1 Cs1 69.69(7) 5 7_545 ?
Cs2 Bi1 Cs1 68.87(7) 1_545 7_545 ?
Cs2 Bi1 Cs1 153.41(10) . 7_545 ?
Cs1 Bi1 Cs1 59.44(7) . 7_545 ?
Bi2 Bi1 Cs1 127.96(5) . 7 ?
Bi1 Bi1 Cs1 69.69(7) 5 7 ?
Cs2 Bi1 Cs1 153.41(10) 1_545 7 ?
Cs2 Bi1 Cs1 68.87(7) . 7 ?
Cs1 Bi1 Cs1 59.44(7) . 7 ?
Cs1 Bi1 Cs1 100.40(9) 7_545 7 ?
Bi2 Bi1 Cs1 66.67(7) . 3_445 ?
Bi1 Bi1 Cs1 67.39(7) 5 3_445 ?
Cs2 Bi1 Cs1 61.80(8) 1_545 3_445 ?
Cs2 Bi1 Cs1 139.69(10) . 3_445 ?
Cs1 Bi1 Cs1 123.94(7) . 3_445 ?
Cs1 Bi1 Cs1 64.55(9) 7_545 3_445 ?
Cs1 Bi1 Cs1 137.08(7) 7 3_445 ?
Bi2 Bi1 Cs1 66.67(7) . 3_455 ?
Bi1 Bi1 Cs1 67.39(7) 5 3_455 ?
Cs2 Bi1 Cs1 139.69(10) 1_545 3_455 ?
Cs2 Bi1 Cs1 61.80(8) . 3_455 ?
Cs1 Bi1 Cs1 123.94(7) . 3_455 ?
Cs1 Bi1 Cs1 137.08(7) 7_545 3_455 ?
Cs1 Bi1 Cs1 64.55(9) 7 3_455 ?
Cs1 Bi1 Cs1 98.27(9) 3_445 3_455 ?
Bi2 Bi1 Cs3 88.5(3) . 7_556 ?
Bi1 Bi1 Cs3 164.7(3) 5 7_556 ?
Cs2 Bi1 Cs3 59.58(12) 1_545 7_556 ?
Cs2 Bi1 Cs3 59.58(12) . 7_556 ?
Cs1 Bi1 Cs3 70.2(3) . 7_556 ?
Cs1 Bi1 Cs3 101.1(2) 7_545 7_556 ?
Cs1 Bi1 Cs3 101.1(2) 7 7_556 ?
Cs1 Bi1 Cs3 120.69(16) 3_445 7_556 ?
Cs1 Bi1 Cs3 120.69(16) 3_455 7_556 ?
Bi1 Bi2 Cs2 154.24(12) . 3_445 ?
Bi1 Bi2 Cs2 109.79(11) . 7_556 ?
Cs2 Bi2 Cs2 95.97(9) 3_445 7_556 ?
Bi1 Bi2 Cs1 71.07(7) . 3_445 ?
Cs2 Bi2 Cs1 93.38(8) 3_445 3_445 ?
Cs2 Bi2 Cs1 127.93(5) 7_556 3_445 ?
Bi1 Bi2 Cs1 71.07(7) . 3_455 ?
Cs2 Bi2 Cs1 93.38(8) 3_445 3_455 ?
Cs2 Bi2 Cs1 127.93(5) 7_556 3_455 ?
Cs1 Bi2 Cs1 102.35(10) 3_445 3_455 ?
Bi1 Bi2 Cs3 127.4(3) . 5_566 ?
Cs2 Bi2 Cs3 61.6(2) 3_445 5_566 ?
Cs2 Bi2 Cs3 68.85(17) 7_556 5_566 ?
Cs1 Bi2 Cs3 153.0(2) 3_445 5_566 ?
Cs1 Bi2 Cs3 71.4(2) 3_455 5_566 ?
Bi1 Bi2 Cs3 127.4(3) . 5_556 ?
Cs2 Bi2 Cs3 61.6(2) 3_445 5_556 ?
Cs2 Bi2 Cs3 68.85(17) 7_556 5_556 ?
Cs1 Bi2 Cs3 71.4(2) 3_445 5_556 ?
Cs1 Bi2 Cs3 153.0(2) 3_455 5_556 ?
Cs3 Bi2 Cs3 101.9(5) 5_566 5_556 ?
Bi1 Bi2 Cs2 63.48(7) . . ?
Cs2 Bi2 Cs2 127.22(6) 3_445 . ?
Cs2 Bi2 Cs2 73.27(8) 7_556 . ?
Cs1 Bi2 Cs2 134.46(9) 3_445 . ?
Cs1 Bi2 Cs2 60.70(8) 3_455 . ?
Cs3 Bi2 Cs2 66.5(3) 5_566 . ?
Cs3 Bi2 Cs2 141.97(18) 5_556 . ?
Bi1 Bi2 Cs2 63.48(7) . 1_545 ?
Cs2 Bi2 Cs2 127.22(6) 3_445 1_545 ?
Cs2 Bi2 Cs2 73.27(8) 7_556 1_545 ?
Cs1 Bi2 Cs2 60.70(7) 3_445 1_545 ?
Cs1 Bi2 Cs2 134.45(9) 3_455 1_545 ?
Cs3 Bi2 Cs2 141.97(18) 5_566 1_545 ?
Cs3 Bi2 Cs2 66.5(3) 5_556 1_545 ?
Cs2 Bi2 Cs2 99.56(10) . 1_545 ?
Bi1 Bi2 Cs3 124.3(3) . 1_545 ?
Cs2 Bi2 Cs3 68.5(3) 3_445 1_545 ?
Cs2 Bi2 Cs3 60.28(15) 7_556 1_545 ?
Cs1 Bi2 Cs3 76.4(2) 3_445 1_545 ?
Cs1 Bi2 Cs3 161.6(2) 3_455 1_545 ?
Cs3 Bi2 Cs3 101.22(5) 5_566 1_545 ?
Cs3 Bi2 Cs3 9.6(3) 5_556 1_545 ?
Cs2 Bi2 Cs3 132.88(16) . 1_545 ?
Cs2 Bi2 Cs3 61.3(3) 1_545 1_545 ?
Bi1 Bi2 Cs3 124.3(3) . . ?
Cs2 Bi2 Cs3 68.5(3) 3_445 . ?
Cs2 Bi2 Cs3 60.28(15) 7_556 . ?
Cs1 Bi2 Cs3 161.6(2) 3_445 . ?
Cs1 Bi2 Cs3 76.4(2) 3_455 . ?
Cs3 Bi2 Cs3 9.6(3) 5_566 . ?
Cs3 Bi2 Cs3 101.22(5) 5_556 . ?
Cs2 Bi2 Cs3 61.3(3) . . ?
Cs2 Bi2 Cs3 132.88(16) 1_545 . ?
Cs3 Bi2 Cs3 98.9(5) 1_545 . ?
Bi1 Bi2 Cs1 87.78(9) . 5 ?
Cs2 Bi2 Cs1 66.46(9) 3_445 5 ?
Cs2 Bi2 Cs1 162.43(10) 7_556 5 ?
Cs1 Bi2 Cs1 56.72(6) 3_445 5 ?
Cs1 Bi2 Cs1 56.72(6) 3_455 5 ?
Cs3 Bi2 Cs1 100.84(16) 5_566 5 ?
Cs3 Bi2 Cs1 100.84(16) 5_556 5 ?
Cs2 Bi2 Cs1 116.67(7) . 5 ?
Cs2 Bi2 Cs1 116.67(7) 1_545 5 ?
Cs3 Bi2 Cs1 110.23(16) 1_545 5 ?
Cs3 Bi2 Cs1 110.23(16) . 5 ?
Bi1 Cs1 Cs1 62.34(10) . 7_545 ?
Bi1 Cs1 Cs1 62.34(10) . 7 ?
Cs1 Cs1 Cs1 104.42(17) 7_545 7 ?
Bi1 Cs1 Bi2 83.86(7) . 3 ?
Cs1 Cs1 Bi2 144.40(15) 7_545 3 ?
Cs1 Cs1 Bi2 65.27(7) 7 3 ?
Bi1 Cs1 Bi2 83.86(7) . 3_545 ?
Cs1 Cs1 Bi2 65.27(7) 7_545 3_545 ?
Cs1 Cs1 Bi2 144.40(15) 7 3_545 ?
Bi2 Cs1 Bi2 102.35(10) 3 3_545 ?
Bi1 Cs1 Bi1 120.56(7) . 7_545 ?
Cs1 Cs1 Bi1 58.22(7) 7_545 7_545 ?
Cs1 Cs1 Bi1 133.45(16) 7 7_545 ?
Bi2 Cs1 Bi1 153.27(11) 3 7_545 ?
Bi2 Cs1 Bi1 72.30(4) 3_545 7_545 ?
Bi1 Cs1 Bi1 120.56(7) . 7 ?
Cs1 Cs1 Bi1 133.45(16) 7_545 7 ?
Cs1 Cs1 Bi1 58.22(7) 7 7 ?
Bi2 Cs1 Bi1 72.30(4) 3 7 ?
Bi2 Cs1 Bi1 153.27(11) 3_545 7 ?
Bi1 Cs1 Bi1 100.40(9) 7_545 7 ?
Bi1 Cs1 Cs2 118.71(12) . 3_545 ?
Cs1 Cs1 Cs2 125.01(10) 7_545 3_545 ?
Cs1 Cs1 Cs2 125.01(10) 7 3_545 ?
Bi2 Cs1 Cs2 60.63(6) 3 3_545 ?
Bi2 Cs1 Cs2 60.63(6) 3_545 3_545 ?
Bi1 Cs1 Cs2 95.55(8) 7_545 3_545 ?
Bi1 Cs1 Cs2 95.55(8) 7 3_545 ?
Bi1 Cs1 Bi1 123.94(7) . 3 ?
Cs1 Cs1 Bi1 173.35(16) 7_545 3 ?
Cs1 Cs1 Bi1 78.34(6) 7 3 ?
Bi2 Cs1 Bi1 42.25(5) 3 3 ?
Bi2 Cs1 Bi1 115.99(10) 3_545 3 ?
Bi1 Cs1 Bi1 115.45(9) 7_545 3 ?
Bi1 Cs1 Bi1 42.92(7) 7 3 ?
Cs2 Cs1 Bi1 55.43(6) 3_545 3 ?
Bi1 Cs1 Bi1 123.94(7) . 3_545 ?
Cs1 Cs1 Bi1 78.34(6) 7_545 3_545 ?
Cs1 Cs1 Bi1 173.35(16) 7 3_545 ?
Bi2 Cs1 Bi1 115.99(10) 3 3_545 ?
Bi2 Cs1 Bi1 42.25(5) 3_545 3_545 ?
Bi1 Cs1 Bi1 42.92(7) 7_545 3_545 ?
Bi1 Cs1 Bi1 115.45(9) 7 3_545 ?
Cs2 Cs1 Bi1 55.43(6) 3_545 3_545 ?
Bi1 Cs1 Bi1 98.27(9) 3 3_545 ?
Bi1 Cs1 Bi2 70.89(8) . 5 ?
Cs1 Cs1 Bi2 58.00(10) 7_545 5 ?
Cs1 Cs1 Bi2 58.00(10) 7 5 ?
Bi2 Cs1 Bi2 123.28(6) 3 5 ?
Bi2 Cs1 Bi2 123.28(6) 3_545 5 ?
Bi1 Cs1 Bi2 78.41(7) 7_545 5 ?
Bi1 Cs1 Bi2 78.41(7) 7 5 ?
Cs2 Cs1 Bi2 170.40(12) 3_545 5 ?
Bi1 Cs1 Bi2 120.34(7) 3 5 ?
Bi1 Cs1 Bi2 120.34(7) 3_545 5 ?
Bi1 Cs1 Cs1 177.75(16) . 5_655 ?
Cs1 Cs1 Cs1 116.62(12) 7_545 5_655 ?
Cs1 Cs1 Cs1 116.62(12) 7 5_655 ?
Bi2 Cs1 Cs1 97.54(9) 3 5_655 ?
Bi2 Cs1 Cs1 97.54(9) 3_545 5_655 ?
Bi1 Cs1 Cs1 58.44(6) 7_545 5_655 ?
Bi1 Cs1 Cs1 58.44(6) 7 5_655 ?
Cs2 Cs1 Cs1 63.54(11) 3_545 5_655 ?
Bi1 Cs1 Cs1 57.01(6) 3 5_655 ?
Bi1 Cs1 Cs1 57.01(6) 3_545 5_655 ?
Bi2 Cs1 Cs1 106.86(13) 5 5_655 ?
Bi2 Cs2 Bi1 87.45(8) 3 . ?
Bi2 Cs2 Bi1 87.45(8) 3 1_565 ?
Bi1 Cs2 Bi1 109.50(12) . 1_565 ?
Bi2 Cs2 Bi2 84.03(9) 3 7_556 ?
Bi1 Cs2 Bi2 124.59(6) . 7_556 ?
Bi1 Cs2 Bi2 124.59(6) 1_565 7_556 ?
Bi2 Cs2 Cs3 61.6(3) 3 7_566 ?
Bi1 Cs2 Cs3 148.3(4) . 7_566 ?
Bi1 Cs2 Cs3 65.28(16) 1_565 7_566 ?
Bi2 Cs2 Cs3 62.6(2) 7_556 7_566 ?
Bi2 Cs2 Cs3 61.6(3) 3 7_556 ?
Bi1 Cs2 Cs3 65.28(16) . 7_556 ?
Bi1 Cs2 Cs3 148.3(4) 1_565 7_556 ?
Bi2 Cs2 Cs3 62.6(2) 7_556 7_556 ?
Cs3 Cs2 Cs3 102.0(3) 7_566 7_556 ?
Bi2 Cs2 Bi2 127.22(6) 3 1_565 ?
Bi1 Cs2 Bi2 121.35(11) . 1_565 ?
Bi1 Cs2 Bi2 43.38(5) 1_565 1_565 ?
Bi2 Cs2 Bi2 106.73(8) 7_556 1_565 ?
Cs3 Cs2 Bi2 77.72(19) 7_566 1_565 ?
Cs3 Cs2 Bi2 166.9(3) 7_556 1_565 ?
Bi2 Cs2 Bi2 127.22(6) 3 . ?
Bi1 Cs2 Bi2 43.38(5) . . ?
Bi1 Cs2 Bi2 121.35(11) 1_565 . ?
Bi2 Cs2 Bi2 106.73(8) 7_556 . ?
Cs3 Cs2 Bi2 166.9(3) 7_566 . ?
Cs3 Cs2 Bi2 77.73(19) 7_556 . ?
Bi2 Cs2 Bi2 99.56(10) 1_565 . ?
Bi2 Cs2 Cs1 123.14(13) 3 3_455 ?
Bi1 Cs2 Cs1 62.77(7) . 3_455 ?
Bi1 Cs2 Cs1 62.77(7) 1_565 3_455 ?
Bi2 Cs2 Cs1 152.83(13) 7_556 3_455 ?
Cs3 Cs2 Cs1 127.25(14) 7_566 3_455 ?
Cs3 Cs2 Cs1 127.25(14) 7_556 3_455 ?
Bi2 Cs2 Cs1 58.67(6) 1_565 3_455 ?
Bi2 Cs2 Cs1 58.67(6) . 3_455 ?
Bi2 Cs2 Cs3 162.2(2) 3 . ?
Bi1 Cs2 Cs3 102.63(12) . . ?
Bi1 Cs2 Cs3 102.63(12) 1_565 . ?
Bi2 Cs2 Cs3 78.13(18) 7_556 . ?
Cs3 Cs2 Cs3 109.0(3) 7_566 . ?
Cs3 Cs2 Cs3 109.0(3) 7_556 . ?
Bi2 Cs2 Cs3 59.57(10) 1_565 . ?
Bi2 Cs2 Cs3 59.57(10) . . ?
Cs1 Cs2 Cs3 74.70(19) 3_455 . ?
Bi2 Cs2 Cs3 170.5(2) 3 5_566 ?
Bi1 Cs2 Cs3 97.97(12) . 5_566 ?
Bi1 Cs2 Cs3 97.97(12) 1_565 5_566 ?
Bi2 Cs2 Cs3 86.5(2) 7_556 5_566 ?
Cs3 Cs2 Cs3 113.6(4) 7_566 5_566 ?
Cs3 Cs2 Cs3 113.6(4) 7_556 5_566 ?
Bi2 Cs2 Cs3 56.00(9) 1_565 5_566 ?
Bi2 Cs2 Cs3 56.00(9) . 5_566 ?
Cs1 Cs2 Cs3 66.35(19) 3_455 5_566 ?
Cs3 Cs2 Cs3 8.4(3) . 5_566 ?
Bi2 Cs2 Cs1 61.82(9) 3 7 ?
Bi1 Cs2 Cs1 58.12(6) . 7 ?
Bi1 Cs2 Cs1 58.11(6) 1_565 7 ?
Bi2 Cs2 Cs1 145.85(12) 7_556 7 ?
Cs3 Cs2 Cs1 98.0(3) 7_566 7 ?
Cs3 Cs2 Cs1 98.0(3) 7_556 7 ?
Bi2 Cs2 Cs1 94.95(8) 1_565 7 ?
Bi2 Cs2 Cs1 94.95(8) . 7 ?
Cs1 Cs2 Cs1 61.32(10) 3_455 7 ?
Cs3 Cs2 Cs1 136.0(2) . 7 ?
Cs3 Cs2 Cs1 127.7(2) 5_566 7 ?
Cs3 Cs3 Bi2 93(3) 5_566 5_566 ?
Cs3 Cs3 Bi2 93(3) 5_566 5_556 ?
Bi2 Cs3 Bi2 101.9(5) 5_566 5_556 ?
Cs3 Cs3 Cs2 127.9(7) 5_566 7_566 ?
Bi2 Cs3 Cs2 56.79(12) 5_566 7_566 ?
Bi2 Cs3 Cs2 131.3(4) 5_556 7_566 ?
Cs3 Cs3 Cs2 127.9(7) 5_566 7_556 ?
Bi2 Cs3 Cs2 131.3(4) 5_566 7_556 ?
Bi2 Cs3 Cs2 56.79(12) 5_556 7_556 ?
Cs2 Cs3 Cs2 102.0(3) 7_566 7_556 ?
Cs3 Cs3 Bi2 78(2) 5_566 . ?
Bi2 Cs3 Bi2 170.4(3) 5_566 . ?
Bi2 Cs3 Bi2 78.78(5) 5_556 . ?
Cs2 Cs3 Bi2 129.6(6) 7_566 . ?
Cs2 Cs3 Bi2 57.10(16) 7_556 . ?
Cs3 Cs3 Bi2 78(2) 5_566 1_565 ?
Bi2 Cs3 Bi2 78.78(5) 5_566 1_565 ?
Bi2 Cs3 Bi2 170.4(3) 5_556 1_565 ?
Cs2 Cs3 Bi2 57.10(16) 7_566 1_565 ?
Cs2 Cs3 Bi2 129.6(6) 7_556 1_565 ?
Bi2 Cs3 Bi2 98.9(5) . 1_565 ?
Cs3 Cs3 Cs2 109(4) 5_566 . ?
Bi2 Cs3 Cs2 125.4(3) 5_566 . ?
Bi2 Cs3 Cs2 125.4(3) 5_556 . ?
Cs2 Cs3 Cs2 71.0(3) 7_566 . ?
Cs2 Cs3 Cs2 71.0(3) 7_556 . ?
Bi2 Cs3 Cs2 59.1(3) . . ?
Bi2 Cs3 Cs2 59.1(3) 1_565 . ?
Cs3 Cs3 Bi1 168(4) 5_566 7_556 ?
Bi2 Cs3 Bi1 79.6(2) 5_566 7_556 ?
Bi2 Cs3 Bi1 79.6(2) 5_556 7_556 ?
Cs2 Cs3 Bi1 55.14(14) 7_566 7_556 ?
Cs2 Cs3 Bi1 55.14(14) 7_556 7_556 ?
Bi2 Cs3 Bi1 109.8(3) . 7_556 ?
Bi2 Cs3 Bi1 109.8(3) 1_565 7_556 ?
Cs2 Cs3 Bi1 83.6(3) . 7_556 ?
Cs3 Cs3 Cs2 63(4) 5_566 5_566 ?
Bi2 Cs3 Cs2 57.5(3) 5_566 5_566 ?
Bi2 Cs3 Cs2 57.5(3) 5_556 5_566 ?
Cs2 Cs3 Cs2 113.6(4) 7_566 5_566 ?
Cs2 Cs3 Cs2 113.6(4) 7_556 5_566 ?
Bi2 Cs3 Cs2 116.7(2) . 5_566 ?
Bi2 Cs3 Cs2 116.7(2) 1_565 5_566 ?
Cs2 Cs3 Cs2 171.6(3) . 5_566 ?
Bi1 Cs3 Cs2 104.8(5) 7_556 5_566 ?
Cs3 Cs3 Cs2 45.1(7) 5_566 3_445 ?
Bi2 Cs3 Cs2 120.0(5) 5_566 3_445 ?
Bi2 Cs3 Cs2 54.15(14) 5_556 3_445 ?
Cs2 Cs3 Cs2 173.1(2) 7_566 3_445 ?
Cs2 Cs3 Cs2 84.67(9) 7_556 3_445 ?
Bi2 Cs3 Cs2 52.72(10) . 3_445 ?
Bi2 Cs3 Cs2 117.1(3) 1_565 3_445 ?
Cs2 Cs3 Cs2 110.0(4) . 3_445 ?
Bi1 Cs3 Cs2 131.5(2) 7_556 3_445 ?
Cs2 Cs3 Cs2 64.5(2) 5_566 3_445 ?
Cs3 Cs3 Cs2 45.1(7) 5_566 3_455 ?
Bi2 Cs3 Cs2 54.15(14) 5_566 3_455 ?
Bi2 Cs3 Cs2 120.0(5) 5_556 3_455 ?
Cs2 Cs3 Cs2 84.67(9) 7_566 3_455 ?
Cs2 Cs3 Cs2 173.1(2) 7_556 3_455 ?
Bi2 Cs3 Cs2 117.1(3) . 3_455 ?
Bi2 Cs3 Cs2 52.72(10) 1_565 3_455 ?
Cs2 Cs3 Cs2 110.0(4) . 3_455 ?
Bi1 Cs3 Cs2 131.5(2) 7_556 3_455 ?
Cs2 Cs3 Cs2 64.5(2) 5_566 3_455 ?
Cs2 Cs3 Cs2 88.6(2) 3_445 3_455 ?
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 Bi2 2.972(3) . ?
Bi1 Bi1 3.036(5) 5 ?
Bi1 Cs2 3.871(3) 1_545 ?
Bi1 Cs2 3.871(3) . ?
Bi1 Cs1 3.950(4) . ?
Bi1 Cs1 4.115(3) 7_545 ?
Bi1 Cs1 4.115(3) 7 ?
Bi1 Cs1 4.180(3) 3_445 ?
Bi1 Cs1 4.180(3) 3_455 ?
Bi1 Cs3 4.285(12) 7_556 ?
Bi2 Cs2 3.871(5) 3_445 ?
Bi2 Cs2 3.934(5) 7_556 ?
Bi2 Cs1 4.058(3) 3_445 ?
Bi2 Cs1 4.058(3) 3_455 ?
Bi2 Cs3 4.070(15) 5_566 ?
Bi2 Cs3 4.070(15) 5_556 ?
Bi2 Cs2 4.141(3) . ?
Bi2 Cs2 4.141(3) 1_545 ?
Bi2 Cs3 4.160(15) 1_545 ?
Bi2 Cs3 4.160(15) . ?
Bi2 Cs1 4.346(5) 5 ?
Cs1 Cs1 4.001(5) 7_545 ?
Cs1 Cs1 4.001(5) 7 ?
Cs1 Bi2 4.058(3) 3 ?
Cs1 Bi2 4.058(3) 3_545 ?
Cs1 Bi1 4.115(3) 7_545 ?
Cs1 Bi1 4.115(3) 7 ?
Cs1 Cs2 4.143(6) 3_545 ?
Cs1 Bi1 4.180(3) 3 ?
Cs1 Bi1 4.180(3) 3_545 ?
Cs1 Bi2 4.346(5) 5 ?
Cs1 Cs1 4.430(7) 5_655 ?
Cs2 Bi2 3.871(5) 3 ?
Cs2 Bi1 3.871(3) 1_565 ?
Cs2 Bi2 3.934(5) 7_556 ?
Cs2 Cs3 4.069(9) 7_566 ?
Cs2 Cs3 4.069(9) 7_556 ?
Cs2 Bi2 4.141(3) 1_565 ?
Cs2 Cs1 4.143(6) 3_455 ?
Cs2 Cs3 4.23(2) . ?
Cs2 Cs3 4.50(2) 5_566 ?
Cs2 Cs1 4.521(6) 7 ?
Cs3 Cs3 0.69(2) 5_566 ?
Cs3 Bi2 4.070(15) 5_566 ?
Cs3 Bi2 4.070(15) 5_556 ?
Cs3 Cs2 4.069(9) 7_566 ?
Cs3 Cs2 4.069(9) 7_556 ?
Cs3 Bi2 4.160(15) 1_565 ?
Cs3 Bi1 4.286(12) 7_556 ?
Cs3 Cs2 4.50(2) 5_566 ?
Cs3 Cs2 4.526(9) 3_445 ?
Cs3 Cs2 4.526(9) 3_455 ?
