#------------------------------------------------------------------------------
#$Date: 2021-06-14 12:25:24 +0300 (Mon, 14 Jun 2021) $
#$Revision: 266436 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/34/1563405.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_1563405
loop_
_publ_author_name
'Yin, Wenlong'
'Mei, Dajiang'
'Yao, Jiyong'
'Fu, Peizhen'
'Wu, Yicheng'
_publ_section_title
;
 Bi3In4S10 and Bi14.7In11.3S38: Two new bismuth sulfides with interesting
 Bi--Bi bonding
;
_journal_issue                   11
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2544
_journal_page_last               2551
_journal_paper_doi               10.1016/j.jssc.2010.08.028
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'Bi3 In4 S10'
_chemical_formula_weight         1406.82
_space_group_IT_number           6
_space_group_name_Hall           'P -2y'
_space_group_name_H-M_alt        'P 1 m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 98.03(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.566(2)
_cell_length_b                   7.6427(15)
_cell_length_c                   17.742(4)
_cell_measurement_temperature    93(2)
_cell_volume                     1552.9(5)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku AFC10 diffractometer'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_sigmaI/netI    0.0674
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12524
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    41.016
_exptl_absorpt_correction_T_max  0.8796
_exptl_absorpt_correction_T_min  0.3456
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2008)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.017
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2420
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         9.150
_refine_diff_density_min         -10.910
_refine_diff_density_rms         0.637
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.47(3)
_refine_ls_extinction_coef       0.00006(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         5920
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          15.000
_refine_ls_shift/su_mean         0.106
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1307
_reflns_number_gt                4708
_reflns_number_total             5920
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-2544.cif
_cod_data_source_block           Bi3In4S10
_cod_original_cell_volume        1553.0(5)
_cod_original_sg_symbol_H-M      'P m'
_cod_database_code               1563405
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, 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 0.5702(2) 0.30018(14) 0.73574(15) 0.0041(2) Uani 1 1 d . . .
Bi2 Bi 0.2772(2) 0.0000 0.80397(13) 0.0083(5) Uani 1 2 d S . .
Bi3 Bi 0.5075(2) 0.24816(12) 0.98194(12) 0.0100(5) Uani 1 1 d . . .
Bi4 Bi 0.1312(2) 0.0000 0.25669(13) 0.0084(5) Uani 1 2 d S . .
Bi5 Bi 0.1304(2) 0.5000 0.25641(13) 0.0086(5) Uani 1 2 d S . .
Bi6 Bi 0.2534(2) 0.5000 0.79918(14) 0.0127(5) Uani 1 2 d S . .
Bi7 Bi 0.3718(2) 0.25061(12) 0.43606(13) 0.0137(5) Uani 1 1 d . . .
Bi8 Bi 0.0670(3) 0.0403(3) 0.50218(19) 0.0195(8) Uani 0.50 1 d P . .
Bi9 Bi 0.0660(3) 0.4562(3) 0.50164(19) 0.0200(8) Uani 0.50 1 d P . .
In1 In 0.9075(4) 0.5000 0.8584(3) 0.0069(9) Uani 1 2 d S . .
In2 In 0.7759(4) 0.0000 0.2022(3) 0.0065(10) Uani 1 2 d S . .
In3 In 0.6958(4) 0.5000 0.5577(3) 0.0077(9) Uani 1 2 d S . .
In4 In 0.2230(4) 0.5000 0.0392(3) 0.0060(9) Uani 1 2 d S . .
In5 In 0.4168(4) 0.2499(2) 0.1998(3) 0.0102(9) Uani 1 1 d . . .
In6 In 0.8988(4) 0.0000 0.8574(3) 0.0056(9) Uani 1 2 d S . .
In7 In 0.7362(4) 0.2490(2) 0.3802(2) 0.0058(8) Uani 1 1 d . . .
In8 In 0.9441(4) 0.2444(2) 0.6778(3) 0.0066(8) Uani 1 1 d . . .
In9 In 0.8607(4) 0.2504(2) 0.0355(3) 0.0083(9) Uani 1 1 d . . .
In10 In 0.2208(4) 0.0000 0.0390(3) 0.0062(9) Uani 1 2 d S . .
In11 In 0.6920(4) 0.0000 0.5637(3) 0.0069(9) Uani 1 2 d S . .
In12 In 0.7762(4) 0.5000 0.2027(3) 0.0067(10) Uani 1 2 d S . .
S1 S 0.4993(13) 0.0000 0.8716(8) 0.008(3) Uani 1 2 d S . .
S2 S 0.0364(14) 0.2483(8) 0.8149(10) 0.014(3) Uani 1 1 d . . .
S3 S 0.4351(15) 0.5000 0.0968(9) 0.006(3) Uani 1 2 d S . .
S4 S 0.4348(14) 0.0000 0.0976(9) 0.006(3) Uani 1 2 d S . .
S5 S 0.0023(15) 0.5000 0.0013(8) 0.006(3) Uani 1 2 d S . .
S6 S 0.5990(15) 0.0000 0.4232(8) 0.006(3) Uani 1 2 d S . .
S7 S 0.5527(13) 0.2555(7) 0.5892(9) 0.008(3) Uani 1 1 d . . .
S8 S 0.6341(13) 0.2498(8) 0.2379(9) 0.011(3) Uani 1 1 d . . .
S9 S 0.9242(15) 0.2493(8) 0.1804(9) 0.010(3) Uani 1 1 d . . .
S10 S 0.7664(15) 0.2545(9) 0.8924(9) 0.013(3) Uani 1 1 d . . .
S11 S 0.7153(15) 0.5000 0.0572(10) 0.008(3) Uani 1 2 d S . .
S12 S 0.8449(14) 0.2510(15) 0.5329(9) 0.017(3) Uani 1 1 d . . .
S13 S 0.7993(14) 0.0000 0.7067(8) 0.007(3) Uani 1 2 d S . .
S14 S 0.0879(16) 0.0000 0.6495(9) 0.010(3) Uani 1 2 d S . .
S15 S 0.0812(16) 0.5000 0.6500(9) 0.011(3) Uani 1 2 d S . .
S16 S -0.0005(16) 0.0000 -0.0001(9) 0.009(3) Uani 1 2 d S . .
S17 S 0.4817(14) 0.5000 0.8745(8) 0.010(3) Uani 1 2 d S . .
S18 S 0.1963(17) 0.2503(7) 0.1447(10) 0.016(3) Uani 1 1 d . . .
S19 S 0.7986(13) 0.5000 0.7059(7) 0.002(3) Uani 1 2 d S . .
S20 S 0.3352(13) 0.2555(7) 0.7156(7) 0.005(2) Uani 1 1 d . . .
S21 S 0.3057(15) 0.0000 0.5290(12) 0.025(4) Uani 1 2 d S . .
S22 S 0.3638(13) 0.0000 0.2912(8) 0.003(3) Uani 1 2 d S . .
S23 S 0.3639(13) 0.5000 0.2911(8) 0.003(3) Uani 1 2 d S . .
S24 S 0.3036(15) 0.5000 0.5284(12) 0.023(4) Uani 1 2 d S . .
S25 S 0.2750(16) 0.2463(15) 0.9472(11) 0.018(4) Uani 1 1 d . . .
S26 S 0.7146(15) 0.0000 0.0566(11) 0.008(3) Uani 1 2 d S . .
S27 S 0.8710(15) 0.5000 0.3480(9) 0.004(3) Uani 1 2 d S . .
S28 S 0.8698(14) 0.0000 0.3481(9) 0.004(3) Uani 1 2 d S . .
S29 S 0.5997(15) 0.5000 0.4194(9) 0.007(3) Uani 1 2 d S . .
S30 S 0.1493(12) 0.2497(8) 0.3650(8) 0.011(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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
S7 Bi1 S20 85.1(4) . .
S7 Bi1 Bi1 97.55(13) . 2_565
S20 Bi1 Bi1 97.23(13) . 2_565
S20 Bi2 S20 95.0(5) 2 .
S20 Bi2 S1 87.6(4) 2 .
S20 Bi2 S1 87.6(4) . .
S25 Bi3 S17 80.4(5) . .
S25 Bi3 S1 84.1(5) . .
S17 Bi3 S1 90.0(4) . .
S25 Bi3 S4 77.6(5) . 1_556
S17 Bi3 S4 157.1(5) . 1_556
S1 Bi3 S4 93.8(3) . 1_556
S25 Bi3 S3 78.1(5) . 1_556
S17 Bi3 S3 90.5(3) . 1_556
S1 Bi3 S3 161.9(5) . 1_556
S4 Bi3 S3 79.0(4) 1_556 1_556
S22 Bi4 S30 82.0(4) . .
S22 Bi4 S30 82.0(4) . 2
S30 Bi4 S30 90.2(5) . 2
S22 Bi4 S18 79.0(4) . 2
S30 Bi4 S18 160.6(5) . 2
S30 Bi4 S18 91.1(4) 2 2
S22 Bi4 S18 79.0(4) . .
S30 Bi4 S18 91.1(4) . .
S30 Bi4 S18 160.6(5) 2 .
S18 Bi4 S18 81.5(5) 2 .
S23 Bi5 S30 81.8(4) . 2_565
S23 Bi5 S30 81.8(4) . .
S30 Bi5 S30 90.2(5) 2_565 .
S23 Bi5 S18 78.8(4) . 2_565
S30 Bi5 S18 91.0(4) 2_565 2_565
S30 Bi5 S18 160.2(5) . 2_565
S23 Bi5 S18 78.8(4) . .
S30 Bi5 S18 160.2(5) 2_565 .
S30 Bi5 S18 91.0(4) . .
S18 Bi5 S18 81.3(5) 2_565 .
S20 Bi6 S20 90.0(5) 2_565 .
S20 Bi6 S17 83.1(3) 2_565 .
S20 Bi6 S17 83.1(3) . .
S20 Bi6 S15 75.9(4) 2_565 .
S20 Bi6 S15 75.9(4) . .
S17 Bi6 S15 150.1(5) . .
S30 Bi7 S24 86.9(5) . .
S30 Bi7 S21 87.2(5) . .
S24 Bi7 S21 89.9(5) . .
Bi8 Bi8 S14 83.23(7) 2 .
Bi8 Bi8 S21 83.58(7) 2 .
S14 Bi8 S21 82.2(6) . .
Bi8 Bi8 Bi9 179.74(7) 2 .
S14 Bi8 Bi9 96.93(9) . .
S21 Bi8 Bi9 96.64(9) . .
Bi9 Bi9 S15 82.71(7) 2_565 .
Bi9 Bi9 S24 82.99(7) 2_565 .
S15 Bi9 S24 83.5(6) . .
Bi9 Bi9 S12 120.2(3) 2_565 1_455
S15 Bi9 S12 80.1(5) . 1_455
S24 Bi9 S12 149.1(4) . 1_455
Bi9 Bi9 Bi8 179.74(7) 2_565 .
S15 Bi9 Bi8 97.14(9) . .
S24 Bi9 Bi8 96.79(9) . .
S12 Bi9 Bi8 59.9(3) 1_455 .
S10 In1 S10 91.8(6) . 2_565
S10 In1 S2 175.4(5) . 2_665
S10 In1 S2 86.6(4) 2_565 2_665
S10 In1 S2 86.6(4) . 1_655
S10 In1 S2 175.4(5) 2_565 1_655
S2 In1 S2 94.7(6) 2_665 1_655
S10 In1 S5 88.1(5) . 1_656
S10 In1 S5 88.1(5) 2_565 1_656
S2 In1 S5 96.1(5) 2_665 1_656
S2 In1 S5 96.1(5) 1_655 1_656
S10 In1 S19 90.7(4) . .
S10 In1 S19 90.7(4) 2_565 .
S2 In1 S19 85.0(4) 2_665 .
S2 In1 S19 85.0(4) 1_655 .
S5 In1 S19 178.2(5) 1_656 .
S26 In2 S9 86.9(5) . .
S26 In2 S9 86.9(5) . 2
S9 In2 S9 92.9(6) . 2
S26 In2 S8 98.4(4) . .
S9 In2 S8 87.2(4) . .
S9 In2 S8 174.7(5) 2 .
S26 In2 S8 98.4(4) . 2
S9 In2 S8 174.7(5) . 2
S9 In2 S8 87.2(4) 2 2
S8 In2 S8 92.2(6) . 2
S26 In2 S28 171.9(6) . .
S9 In2 S28 87.5(4) . .
S9 In2 S28 87.5(4) 2 .
S8 In2 S28 87.1(4) . .
S8 In2 S28 87.1(4) 2 .
S29 In3 S7 90.1(5) . .
S29 In3 S7 90.1(4) . 2_565
S7 In3 S7 91.5(5) . 2_565
S29 In3 S12 92.7(5) . 2_565
S7 In3 S12 177.2(5) . 2_565
S7 In3 S12 88.2(4) 2_565 2_565
S29 In3 S12 92.7(5) . .
S7 In3 S12 88.2(4) . .
S7 In3 S12 177.2(5) 2_565 .
S12 In3 S12 92.0(7) 2_565 .
S29 In3 S19 179.9(5) . .
S7 In3 S19 89.9(4) . .
S7 In3 S19 89.9(4) 2_565 .
S12 In3 S19 87.4(4) 2_565 .
S12 In3 S19 87.4(4) . .
S3 In4 S5 171.5(6) . .
S3 In4 S25 87.6(5) . 1_554
S5 In4 S25 98.2(5) . 1_554
S3 In4 S25 87.6(5) . 2_564
S5 In4 S25 98.2(5) . 2_564
S25 In4 S25 93.7(7) 1_554 2_564
S3 In4 S18 85.3(5) . .
S5 In4 S18 88.6(5) . .
S25 In4 S18 88.2(5) 1_554 .
S25 In4 S18 172.6(6) 2_564 .
S3 In4 S18 85.3(5) . 2_565
S5 In4 S18 88.6(5) . 2_565
S25 In4 S18 172.6(6) 1_554 2_565
S25 In4 S18 88.2(5) 2_564 2_565
S18 In4 S18 89.1(6) . 2_565
S8 In5 S18 173.6(6) . .
S8 In5 S23 98.3(5) . .
S18 In5 S23 86.0(5) . .
S8 In5 S22 98.3(4) . .
S18 In5 S22 86.1(5) . .
S23 In5 S22 93.1(5) . .
S8 In5 S4 90.7(5) . .
S18 In5 S4 84.9(4) . .
S23 In5 S4 170.9(5) . .
S22 In5 S4 86.9(4) . .
S8 In5 S3 90.7(5) . .
S18 In5 S3 84.8(4) . .
S23 In5 S3 87.1(4) . .
S22 In5 S3 170.9(5) . .
S4 In5 S3 91.5(5) . .
S10 In6 S10 96.7(7) 2 .
S10 In6 S16 88.1(5) 2 1_656
S10 In6 S16 88.1(5) . 1_656
S10 In6 S2 176.7(5) 2 1_655
S10 In6 S2 86.0(4) . 1_655
S16 In6 S2 94.0(5) 1_656 1_655
S10 In6 S2 86.0(4) 2 2_655
S10 In6 S2 176.7(5) . 2_655
S16 In6 S2 94.0(5) 1_656 2_655
S2 In6 S2 91.3(6) 1_655 2_655
S10 In6 S13 92.9(4) 2 .
S10 In6 S13 92.9(4) . .
S16 In6 S13 178.4(6) 1_656 .
S2 In6 S13 84.8(4) 1_655 .
S2 In6 S13 84.8(4) 2_655 .
S28 In7 S27 95.8(6) . .
S28 In7 S8 89.6(5) . .
S27 In7 S8 89.5(4) . .
S28 In7 S29 177.5(5) . .
S27 In7 S29 85.5(4) . .
S8 In7 S29 92.7(4) . .
S28 In7 S6 86.3(4) . .
S27 In7 S6 175.9(5) . .
S8 In7 S6 94.1(4) . .
S29 In7 S6 92.4(5) . .
S28 In7 S12 90.9(5) . .
S27 In7 S12 90.3(5) . .
S8 In7 S12 179.5(4) . .
S29 In7 S12 86.9(5) . .
S6 In7 S12 86.1(5) . .
S2 In8 S14 89.9(5) 1_655 1_655
S2 In8 S15 89.2(5) 1_655 1_655
S14 In8 S15 94.6(6) 1_655 1_655
S2 In8 S13 90.9(5) 1_655 .
S14 In8 S13 88.2(4) 1_655 .
S15 In8 S13 177.2(4) 1_655 .
S2 In8 S12 178.2(3) 1_655 .
S14 In8 S12 91.6(5) 1_655 .
S15 In8 S12 89.7(5) 1_655 .
S13 In8 S12 90.1(5) . .
S2 In8 S19 90.2(4) 1_655 .
S14 In8 S19 179.0(4) 1_655 .
S15 In8 S19 84.4(4) 1_655 .
S13 In8 S19 92.8(4) . .
S12 In8 S19 88.2(4) . .
S9 In9 S11 87.4(5) . .
S9 In9 S26 87.4(5) . .
S11 In9 S26 94.1(6) . .
S9 In9 S10 172.0(6) . 1_554
S11 In9 S10 86.8(5) . 1_554
S26 In9 S10 87.6(5) . 1_554
S9 In9 S16 98.0(5) . 1_655
S11 In9 S16 174.6(6) . 1_655
S26 In9 S16 86.0(4) . 1_655
S10 In9 S16 87.8(5) 1_554 1_655
S9 In9 S5 97.6(4) . 1_655
S11 In9 S5 86.5(4) . 1_655
S26 In9 S5 175.0(5) . 1_655
S10 In9 S5 87.5(5) 1_554 1_655
S16 In9 S5 93.0(5) 1_655 1_655
S4 In10 S16 171.8(6) . .
S4 In10 S25 87.2(5) . 2_554
S16 In10 S25 98.5(5) . 2_554
S4 In10 S25 87.2(5) . 1_554
S16 In10 S25 98.5(5) . 1_554
S25 In10 S25 91.7(7) 2_554 1_554
S4 In10 S18 84.7(4) . .
S16 In10 S18 89.5(5) . .
S25 In10 S18 171.8(6) 2_554 .
S25 In10 S18 88.9(5) 1_554 .
S4 In10 S18 84.7(4) . 2
S16 In10 S18 89.5(5) . 2
S25 In10 S18 88.9(5) 2_554 2
S25 In10 S18 171.8(6) 1_554 2
S18 In10 S18 89.4(6) . 2
S6 In11 S7 89.1(4) . 2
S6 In11 S7 89.1(4) . .
S7 In11 S7 96.8(6) 2 .
S6 In11 S13 177.0(5) . .
S7 In11 S13 93.0(4) 2 .
S7 In11 S13 93.0(4) . .
S6 In11 S12 90.1(4) . .
S7 In11 S12 176.4(5) 2 .
S7 In11 S12 86.7(4) . .
S13 In11 S12 87.8(4) . .
S6 In11 S12 90.1(4) . 2
S7 In11 S12 86.7(4) 2 2
S7 In11 S12 176.4(5) . 2
S13 In11 S12 87.8(4) . 2
S12 In11 S12 89.9(6) . 2
S11 In12 S9 86.7(5) . 2_565
S11 In12 S9 86.7(5) . .
S9 In12 S9 93.3(6) 2_565 .
S11 In12 S8 98.3(4) . .
S9 In12 S8 175.1(5) 2_565 .
S9 In12 S8 87.0(4) . .
S11 In12 S8 98.3(4) . 2_565
S9 In12 S8 87.0(4) 2_565 2_565
S9 In12 S8 175.1(5) . 2_565
S8 In12 S8 92.3(6) . 2_565
S11 In12 S27 171.5(6) . .
S9 In12 S27 87.5(4) 2_565 .
S9 In12 S27 87.5(4) . .
S8 In12 S27 87.6(4) . .
S8 In12 S27 87.6(4) 2_565 .
Bi2 S1 Bi3 104.9(4) . .
Bi2 S1 Bi3 104.9(4) . 2
Bi3 S1 Bi3 88.5(4) . 2
In8 S2 In1 96.4(5) 1_455 1_455
In8 S2 In6 94.4(5) 1_455 1_455
In1 S2 In6 93.0(6) 1_455 1_455
In4 S3 In5 96.4(5) . 2_565
In4 S3 In5 96.4(5) . .
In5 S3 In5 91.3(5) 2_565 .
In4 S3 Bi3 94.2(4) . 1_554
In5 S3 Bi3 167.8(6) 2_565 1_554
In5 S3 Bi3 93.53(12) . 1_554
In4 S3 Bi3 94.2(4) . 2_564
In5 S3 Bi3 93.53(12) 2_565 2_564
In5 S3 Bi3 167.8(6) . 2_564
Bi3 S3 Bi3 79.7(4) 1_554 2_564
In10 S4 In5 96.5(5) . .
In10 S4 In5 96.5(5) . 2
In5 S4 In5 91.7(5) . 2
In10 S4 Bi3 94.0(4) . 2_554
In5 S4 Bi3 167.4(6) . 2_554
In5 S4 Bi3 93.92(12) 2 2_554
In10 S4 Bi3 94.0(4) . 1_554
In5 S4 Bi3 93.92(12) . 1_554
In5 S4 Bi3 167.4(6) 2 1_554
Bi3 S4 Bi3 78.4(4) 2_554 1_554
In4 S5 In1 121.6(6) . 1_454
In4 S5 In9 124.8(4) . 1_455
In1 S5 In9 91.9(5) 1_454 1_455
In4 S5 In9 124.8(4) . 2_465
In1 S5 In9 91.9(5) 1_454 2_465
In9 S5 In9 92.6(5) 1_455 2_465
In11 S6 In7 95.3(5) . .
In11 S6 In7 95.3(5) . 2
In7 S6 In7 91.5(5) . 2
Bi1 S7 In3 99.0(4) . .
Bi1 S7 In11 107.9(5) . .
In3 S7 In11 94.2(5) . .
In5 S8 In7 123.8(7) . .
In5 S8 In2 124.5(4) . .
In7 S8 In2 91.0(4) . .
In5 S8 In12 124.5(4) . .
In7 S8 In12 91.0(4) . .
In2 S8 In12 92.2(5) . .
In9 S9 In2 92.8(5) . .
In9 S9 In12 92.7(4) . .
In2 S9 In12 93.1(6) . .
In6 S10 In1 94.3(6) . .
In6 S10 In9 92.4(5) . 1_556
In1 S10 In9 92.5(5) . 1_556
In12 S11 In9 93.2(5) . 2_565
In12 S11 In9 93.2(5) . .
In9 S11 In9 94.1(6) 2_565 .
In3 S12 In8 93.2(5) . .
In3 S12 In11 90.9(5) . .
In8 S12 In11 89.8(5) . .
In3 S12 In7 87.1(4) . .
In8 S12 In7 178.3(6) . .
In11 S12 In7 88.5(4) . .
In3 S12 Bi9 103.8(4) . 1_655
In8 S12 Bi9 85.9(4) . 1_655
In11 S12 Bi9 164.9(5) . 1_655
In7 S12 Bi9 95.7(5) . 1_655
In8 S13 In8 91.5(5) . 2
In8 S13 In11 92.3(4) . .
In8 S13 In11 92.3(4) 2 .
In8 S13 In6 89.9(4) . .
In8 S13 In6 89.9(4) 2 .
In11 S13 In6 176.9(6) . .
In8 S14 In8 92.1(6) 2_455 1_455
In8 S14 Bi8 97.8(4) 2_455 2
In8 S14 Bi8 107.8(5) 1_455 2
In8 S14 Bi8 107.8(5) 2_455 .
In8 S14 Bi8 97.8(4) 1_455 .
Bi8 S14 Bi8 13.55(14) 2 .
In8 S15 In8 97.1(6) 1_455 2_465
In8 S15 Bi9 109.0(5) 1_455 2_565
In8 S15 Bi9 97.8(4) 2_465 2_565
In8 S15 Bi9 97.8(4) 1_455 .
In8 S15 Bi9 109.0(5) 2_465 .
Bi9 S15 Bi9 14.59(14) 2_565 .
In8 S15 Bi6 100.1(4) 1_455 .
In8 S15 Bi6 100.1(4) 2_465 .
Bi9 S15 Bi6 143.4(7) 2_565 .
Bi9 S15 Bi6 143.4(7) . .
In10 S16 In9 123.8(4) . 2_455
In10 S16 In9 123.8(4) . 1_455
In9 S16 In9 93.3(6) 2_455 1_455
In10 S16 In6 123.6(7) . 1_454
In9 S16 In6 91.6(5) 2_455 1_454
In9 S16 In6 91.6(5) 1_455 1_454
Bi3 S17 Bi3 91.1(4) 2_565 .
Bi3 S17 Bi6 110.0(4) 2_565 .
Bi3 S17 Bi6 110.0(4) . .
In5 S18 In4 93.4(5) . .
In5 S18 In10 93.8(5) . .
In4 S18 In10 89.2(6) . .
In5 S18 Bi5 94.6(5) . .
In4 S18 Bi5 94.2(2) . .
In10 S18 Bi5 170.6(7) . .
In5 S18 Bi4 94.4(5) . .
In4 S18 Bi4 171.4(7) . .
In10 S18 Bi4 94.0(2) . .
Bi5 S18 Bi4 81.4(5) . .
In8 S19 In8 94.0(4) 2_565 .
In8 S19 In3 91.2(3) 2_565 .
In8 S19 In3 91.2(3) . .
In8 S19 In1 88.3(4) 2_565 .
In8 S19 In1 88.3(4) . .
In3 S19 In1 179.3(6) . .
Bi6 S20 Bi2 92.8(5) . .
Bi6 S20 Bi1 105.5(3) . .
Bi2 S20 Bi1 110.3(4) . .
Bi7 S21 Bi7 90.1(6) 2 .
Bi7 S21 Bi8 100.2(5) 2 2
Bi7 S21 Bi8 109.6(6) . 2
Bi7 S21 Bi8 109.6(6) 2 .
Bi7 S21 Bi8 100.2(5) . .
Bi8 S21 Bi8 12.84(13) 2 .
In5 S22 In5 93.0(5) 2 .
In5 S22 Bi4 99.9(4) 2 .
In5 S22 Bi4 99.9(4) . .
In5 S23 In5 93.1(5) 2_565 .
In5 S23 Bi5 99.9(4) 2_565 .
In5 S23 Bi5 99.9(4) . .
Bi7 S24 Bi7 89.7(6) 2_565 .
Bi7 S24 Bi9 110.6(6) 2_565 .
Bi7 S24 Bi9 100.3(5) . .
Bi7 S24 Bi9 100.3(5) 2_565 2_565
Bi7 S24 Bi9 110.6(6) . 2_565
Bi9 S24 Bi9 14.01(13) . 2_565
In10 S25 In4 92.7(6) 1_556 1_556
In10 S25 Bi3 100.4(6) 1_556 .
In4 S25 Bi3 99.3(5) 1_556 .
In2 S26 In9 92.9(5) . .
In2 S26 In9 92.9(5) . 2
In9 S26 In9 94.1(6) . 2
In7 S27 In7 95.8(6) . 2_565
In7 S27 In12 91.9(4) . .
In7 S27 In12 91.9(4) 2_565 .
In7 S28 In7 95.8(6) 2 .
In7 S28 In2 92.2(4) 2 .
In7 S28 In2 92.2(4) . .
In3 S29 In7 93.3(5) . 2_565
In3 S29 In7 93.3(5) . .
In7 S29 In7 93.2(5) 2_565 .
Bi4 S30 Bi5 90.2(4) . .
Bi4 S30 Bi7 108.0(4) . .
Bi5 S30 Bi7 108.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 S7 2.602(17) .
Bi1 S20 2.713(15) .
Bi1 Bi1 3.054(2) 2_565
Bi2 S20 2.649(10) 2
Bi2 S20 2.649(10) .
Bi2 S1 2.679(16) .
Bi3 S25 2.673(19) .
Bi3 S17 2.697(10) .
Bi3 S1 2.718(10) .
Bi3 S4 3.000(13) 1_556
Bi3 S3 3.005(13) 1_556
Bi4 S22 2.675(15) .
Bi4 S30 2.695(11) .
Bi4 S30 2.695(11) 2
Bi4 S18 2.931(15) 2
Bi4 S18 2.931(15) .
Bi5 S23 2.685(15) .
Bi5 S30 2.702(11) 2_565
Bi5 S30 2.702(11) .
Bi5 S18 2.928(15) 2_565
Bi5 S18 2.928(15) .
Bi6 S20 2.642(11) 2_565
Bi6 S20 2.642(11) .
Bi6 S17 2.788(17) .
Bi6 S15 3.082(16) .
Bi7 S30 2.703(12) .
Bi7 S24 2.703(14) .
Bi7 S21 2.706(14) .
Bi8 Bi8 0.615(5) 2
Bi8 S14 2.609(16) .
Bi8 S21 2.752(17) .
Bi8 Bi9 3.179(4) .
Bi9 Bi9 0.669(5) 2_565
Bi9 S15 2.635(16) .
Bi9 S24 2.743(18) .
Bi9 S12 3.114(17) 1_455
In1 S10 2.612(14) .
In1 S10 2.612(14) 2_565
In1 S2 2.615(13) 2_665
In1 S2 2.615(13) 1_655
In1 S5 2.619(16) 1_656
In1 S19 2.820(15) .
In2 S26 2.582(19) .
In2 S9 2.628(14) .
In2 S9 2.628(14) 2
In2 S8 2.650(13) .
In2 S8 2.650(13) 2
In2 S28 2.663(17) .
In3 S29 2.548(16) .
In3 S7 2.609(12) .
In3 S7 2.609(12) 2_565
In3 S12 2.646(15) 2_565
In3 S12 2.646(15) .
In3 S19 2.730(14) .
In4 S3 2.522(16) .
In4 S5 2.547(18) .
In4 S25 2.657(16) 1_554
In4 S25 2.657(16) 2_564
In4 S18 2.720(14) .
In4 S18 2.720(14) 2_565
In5 S8 2.510(15) .
In5 S18 2.600(19) .
In5 S23 2.632(11) .
In5 S22 2.633(11) .
In5 S4 2.661(11) .
In5 S3 2.674(12) .
In6 S10 2.604(13) 2
In6 S10 2.604(13) .
In6 S16 2.632(16) 1_656
In6 S2 2.653(14) 1_655
In6 S2 2.653(14) 2_655
In6 S13 2.760(15) .
In7 S28 2.565(12) .
In7 S27 2.585(12) .
In7 S8 2.633(15) .
In7 S29 2.639(12) .
In7 S6 2.658(12) .
In7 S12 2.823(16) .
In8 S2 2.516(18) 1_655
In8 S14 2.596(13) 1_655
In8 S15 2.605(13) 1_655
In8 S13 2.607(11) .
In8 S12 2.665(16) .
In8 S19 2.670(10) .
In9 S9 2.573(16) .
In9 S11 2.608(12) .
In9 S26 2.615(13) .
In9 S10 2.621(16) 1_554
In9 S16 2.631(13) 1_655
In9 S5 2.639(12) 1_655
In10 S4 2.547(16) .
In10 S16 2.557(19) .
In10 S25 2.622(16) 2_554
In10 S25 2.622(16) 1_554
In10 S18 2.721(14) .
In10 S18 2.721(14) 2
In11 S6 2.573(16) .
In11 S7 2.611(12) 2
In11 S7 2.611(12) .
In11 S13 2.664(15) .
In11 S12 2.717(15) .
In11 S12 2.717(15) 2
In12 S11 2.579(19) .
In12 S9 2.636(13) 2_565
In12 S9 2.636(13) .
In12 S8 2.652(13) .
In12 S8 2.652(13) 2_565
In12 S27 2.657(16) .
S1 Bi3 2.718(10) 2
S2 In8 2.516(18) 1_455
S2 In1 2.615(13) 1_455
S2 In6 2.653(14) 1_455
S3 In5 2.674(12) 2_565
S3 Bi3 3.005(13) 1_554
S3 Bi3 3.005(13) 2_564
S4 In5 2.661(11) 2
S4 Bi3 3.000(13) 2_554
S4 Bi3 3.000(13) 1_554
S5 In1 2.619(16) 1_454
S5 In9 2.639(12) 1_455
S5 In9 2.639(12) 2_465
S6 In7 2.658(12) 2
S10 In9 2.621(16) 1_556
S11 In9 2.608(12) 2_565
S12 Bi9 3.114(17) 1_655
S13 In8 2.607(11) 2
S14 In8 2.596(13) 2_455
S14 In8 2.596(13) 1_455
S14 Bi8 2.609(16) 2
S15 In8 2.605(12) 1_455
S15 In8 2.605(12) 2_465
S15 Bi9 2.635(16) 2_565
S16 In9 2.631(13) 2_455
S16 In9 2.631(13) 1_455
S16 In6 2.632(16) 1_454
S17 Bi3 2.697(10) 2_565
S19 In8 2.670(10) 2_565
S21 Bi7 2.706(14) 2
S21 Bi8 2.752(17) 2
S22 In5 2.633(11) 2
S23 In5 2.632(11) 2_565
S24 Bi7 2.703(14) 2_565
S24 Bi9 2.743(18) 2_565
S25 In10 2.622(16) 1_556
S25 In4 2.657(16) 1_556
S26 In9 2.615(13) 2
S27 In7 2.585(12) 2_565
S28 In7 2.565(12) 2
S29 In7 2.639(12) 2_565
