#------------------------------------------------------------------------------
#$Date: 2021-04-29 12:32:38 +0300 (Thu, 29 Apr 2021) $
#$Revision: 264696 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/22/1562284.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_1562284
loop_
_publ_author_name
'Hao, Wenyu'
'Han, Yemao'
'Huang, Rongjin'
'Feng, Kai'
'Yin, Wenlong'
'Yao, Jiyong'
'Wu, Yicheng'
_publ_section_title
;
 Ag1.75InSb5.75Se11: A new noncentrosymmetric compound with
 congruent-melting behavior
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              196
_journal_page_last               201
_journal_paper_doi               10.1016/j.jssc.2014.06.026
_journal_volume                  218
_journal_year                    2014
_chemical_formula_sum            'Ag1.75 In Sb5.75 Se11'
_chemical_formula_weight         1872.27
_space_group_IT_number           8
_space_group_name_Hall           'C -2y'
_space_group_name_H-M_alt        'C 1 m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 m 1'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 105.830(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.4191(10)
_cell_length_b                   4.0844(3)
_cell_length_c                   19.1652(14)
_cell_measurement_reflns_used    .
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      .
_cell_measurement_theta_min      .
_cell_volume                     1010.59(13)
_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      153(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            12300
_diffrn_reflns_theta_full        28.17
_diffrn_reflns_theta_max         28.17
_diffrn_reflns_theta_min         2.21
_diffrn_standards_decay_%        .
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_exptl_absorpt_coefficient_mu    30.128
_exptl_absorpt_correction_T_max  0.065
_exptl_absorpt_correction_T_min  0.014
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed'
_exptl_crystal_colour            Grey
_exptl_crystal_density_diffrn    6.153
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chip
_exptl_crystal_F_000             1597
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.121
_refine_diff_density_min         -1.988
_refine_diff_density_rms         0.284
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.50(4)
_refine_ls_extinction_coef       0.00057(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.307
_refine_ls_hydrogen_treatment    .
_refine_ls_matrix_type           full
_refine_ls_number_parameters     123
_refine_ls_number_reflns         2764
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.307
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.1011
_reflns_number_gt                2244
_reflns_number_total             2764
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-218-198.CIF
_cod_data_source_block           Ag1.75InSb5.75Se11
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               1562284
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'
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
Sb1 Sb 0.24329(15) 0.0000 0.90013(12) 0.0244(5) Uani 1 2 d S . .
Sb2 Sb 0.4838(2) 0.0000 0.80220(16) 0.0329(6) Uani 1 2 d S . .
Sb3 Sb 0.1956(2) 0.0000 0.50284(17) 0.0395(8) Uani 1 2 d S . .
Sb4 Sb 0.4120(3) 1.0000 0.34563(17) 0.0450(7) Uani 1 2 d S . .
Sb5 Sb 0.7735(3) 0.0000 0.15169(18) 0.0447(7) Uani 1 2 d S . .
Sb6 Sb -0.0026(2) 0.0000 -0.00285(16) 0.0363(7) Uani 0.75 2 d SP . .
Ag1 Ag -0.0026(2) 0.0000 -0.00285(16) 0.0363(7) Uani 0.25 2 d SP . .
Ag2 Ag 0.0965(6) 0.0000 0.2497(5) 0.0307(4) Uani 0.50 2 d SP . .
Ag3 Ag 0.7114(2) 0.0000 0.69915(15) 0.0266(6) Uani 1 2 d S . .
In In 0.95012(16) 0.0000 0.60046(13) 0.0253(6) Uani 1 2 d S . .
Se1 Se 0.3370(3) 0.0000 0.6598(2) 0.0247(8) Uani 1 2 d S . .
Se2 Se 0.0982(4) 0.0000 0.7511(3) 0.0278(3) Uani 1 2 d S . .
Se3 Se 0.5644(3) 0.0000 0.5584(2) 0.0309(10) Uani 1 2 d S . .
Se4 Se 0.8097(3) 0.0000 0.4695(2) 0.0234(8) Uani 1 2 d S . .
Se5 Se 0.6297(2) 0.0000 0.9421(2) 0.0235(9) Uani 1 2 d S . .
Se6 Se 0.8590(3) 0.0000 0.8409(2) 0.0240(8) Uani 1 2 d S . .
Se7 Se 0.3825(3) 0.0000 0.0309(2) 0.0235(8) Uani 1 2 d S . .
Se8 Se 0.4389(3) 0.0000 0.21612(19) 0.0177(6) Uani 1 2 d S . .
Se9 Se 0.7534(3) 0.0000 0.28331(19) 0.0194(7) Uani 1 2 d S . .
Se10 Se 0.0675(3) 0.0000 0.3705(3) 0.0362(11) Uani 1 2 d S . .
Se11 Se 0.1239(3) 0.0000 0.1299(3) 0.0382(12) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
Se7 Sb1 Se5 91.53(11) 1_556 3_445
Se7 Sb1 Se5 91.53(11) 1_556 3_455
Se5 Sb1 Se5 93.90(12) 3_445 3_455
Se7 Sb1 Se6 93.06(11) 1_556 3_455
Se5 Sb1 Se6 174.23(12) 3_445 3_455
Se5 Sb1 Se6 89.48(7) 3_455 3_455
Se7 Sb1 Se6 93.06(11) 1_556 3_445
Se5 Sb1 Se6 89.48(7) 3_445 3_445
Se5 Sb1 Se6 174.23(12) 3_455 3_445
Se6 Sb1 Se6 86.79(13) 3_455 3_445
Se7 Sb1 Se2 176.86(17) 1_556 .
Se5 Sb1 Se2 90.62(11) 3_445 .
Se5 Sb1 Se2 90.62(11) 3_455 .
Se6 Sb1 Se2 84.66(12) 3_455 .
Se6 Sb1 Se2 84.66(12) 3_445 .
Se5 Sb2 Se6 93.23(12) . 3_445
Se5 Sb2 Se6 93.23(12) . 3_455
Se6 Sb2 Se6 90.99(13) 3_445 3_455
Se5 Sb2 Se2 91.52(13) . 3
Se6 Sb2 Se2 175.23(18) 3_445 3
Se6 Sb2 Se2 89.19(9) 3_455 3
Se5 Sb2 Se2 91.52(13) . 3_545
Se6 Sb2 Se2 89.19(9) 3_445 3_545
Se6 Sb2 Se2 175.23(18) 3_455 3_545
Se2 Sb2 Se2 90.25(18) 3 3_545
Se5 Sb2 Se1 179.61(16) . .
Se6 Sb2 Se1 87.04(10) 3_445 .
Se6 Sb2 Se1 87.04(10) 3_455 .
Se2 Sb2 Se1 88.20(14) 3 .
Se2 Sb2 Se1 88.20(14) 3_545 .
Se10 Sb3 Se4 92.01(14) . 3_455
Se10 Sb3 Se4 92.01(14) . 3_445
Se4 Sb3 Se4 96.82(16) 3_455 3_445
Se10 Sb3 Se3 92.79(14) . 3_445
Se4 Sb3 Se3 171.77(14) 3_455 3_445
Se4 Sb3 Se3 89.70(8) 3_445 3_445
Se10 Sb3 Se3 92.79(14) . 3_455
Se4 Sb3 Se3 89.70(8) 3_455 3_455
Se4 Sb3 Se3 171.77(14) 3_445 3_455
Se3 Sb3 Se3 83.38(12) 3_445 3_455
Se10 Sb3 Se1 177.58(19) . .
Se4 Sb3 Se1 89.60(11) 3_455 .
Se4 Sb3 Se1 89.60(11) 3_445 .
Se3 Sb3 Se1 85.41(12) 3_445 .
Se3 Sb3 Se1 85.41(12) 3_455 .
Se8 Sb4 Se10 82.80(15) 1_565 3_565
Se8 Sb4 Se10 82.80(15) 1_565 3
Se10 Sb4 Se10 90.92(14) 3_565 3
Se8 Sb4 Se9 83.49(9) 1_565 3_455
Se10 Sb4 Se9 166.16(17) 3_565 3_455
Se10 Sb4 Se9 89.22(6) 3 3_455
Se8 Sb4 Se9 83.49(9) 1_565 3_465
Se10 Sb4 Se9 89.22(6) 3_565 3_465
Se10 Sb4 Se9 166.16(17) 3 3_465
Se9 Sb4 Se9 87.37(9) 3_455 3_465
Se9 Sb5 Se11 83.43(15) . 3_545
Se9 Sb5 Se11 83.43(15) . 3
Se11 Sb5 Se11 93.09(15) 3_545 3
Se9 Sb5 Se8 82.13(9) . 3
Se11 Sb5 Se8 165.04(18) 3_545 3
Se11 Sb5 Se8 89.13(6) 3 3
Se9 Sb5 Se8 82.13(9) . 3_545
Se11 Sb5 Se8 89.13(6) 3_545 3_545
Se11 Sb5 Se8 165.04(18) 3 3_545
Se8 Sb5 Se8 85.06(9) 3 3_545
Se11 Sb6 Se7 91.60(15) . 3_445
Se11 Sb6 Se7 91.60(15) . 3_455
Se7 Sb6 Se7 96.35(15) 3_445 3_455
Se11 Sb6 Se6 177.56(18) . 1_454
Se7 Sb6 Se6 90.03(11) 3_445 1_454
Se7 Sb6 Se6 90.03(11) 3_455 1_454
Se11 Sb6 Se5 92.92(13) . 3_454
Se7 Sb6 Se5 172.07(14) 3_445 3_454
Se7 Sb6 Se5 90.03(7) 3_455 3_454
Se6 Sb6 Se5 85.26(11) 1_454 3_454
Se11 Sb6 Se5 92.92(13) . 3_444
Se7 Sb6 Se5 90.03(7) 3_445 3_444
Se7 Sb6 Se5 172.07(14) 3_455 3_444
Se6 Sb6 Se5 85.26(11) 1_454 3_444
Se5 Sb6 Se5 83.24(11) 3_454 3_444
Se11 Ag2 Se10 179.6(4) . .
Se11 Ag2 Se9 85.5(3) . 3_455
Se10 Ag2 Se9 94.8(3) . 3_455
Se11 Ag2 Se9 85.5(3) . 3_445
Se10 Ag2 Se9 94.8(3) . 3_445
Se9 Ag2 Se9 90.4(2) 3_455 3_445
Se11 Ag2 Se8 94.6(3) . 3_445
Se10 Ag2 Se8 85.1(2) . 3_445
Se9 Ag2 Se8 179.9(4) 3_455 3_445
Se9 Ag2 Se8 89.69(2) 3_445 3_445
Se11 Ag2 Se8 94.6(3) . 3_455
Se10 Ag2 Se8 85.1(2) . 3_455
Se9 Ag2 Se8 89.69(2) 3_455 3_455
Se9 Ag2 Se8 179.9(4) 3_445 3_455
Se8 Ag2 Se8 90.2(2) 3_445 3_455
Se3 Ag3 Se1 93.17(12) . 3
Se3 Ag3 Se1 93.17(11) . 3_545
Se1 Ag3 Se1 90.49(14) 3 3_545
Se3 Ag3 Se2 91.87(13) . 3_545
Se1 Ag3 Se2 174.95(18) 3 3_545
Se1 Ag3 Se2 89.38(9) 3_545 3_545
Se3 Ag3 Se2 91.87(13) . 3
Se1 Ag3 Se2 89.38(9) 3 3
Se1 Ag3 Se2 174.95(18) 3_545 3
Se2 Ag3 Se2 90.31(18) 3_545 3
Se3 Ag3 Se6 179.89(16) . .
Se1 Ag3 Se6 86.91(10) 3 .
Se1 Ag3 Se6 86.91(10) 3_545 .
Se2 Ag3 Se6 88.05(14) 3_545 .
Se2 Ag3 Se6 88.05(14) 3 .
Se4 In Se3 91.77(11) . 3
Se4 In Se3 91.77(11) . 3_545
Se3 In Se3 93.63(14) 3 3_545
Se4 In Se1 93.23(11) . 3_545
Se3 In Se1 174.19(14) 3 3_545
Se3 In Se1 89.19(8) 3_545 3_545
Se4 In Se1 93.23(11) . 3
Se3 In Se1 89.19(8) 3 3
Se3 In Se1 174.19(14) 3_545 3
Se1 In Se1 87.56(14) 3_545 3
Se4 In Se2 176.93(17) . 1_655
Se3 In Se2 90.34(12) 3 1_655
Se3 In Se2 90.34(12) 3_545 1_655
Se1 In Se2 84.56(12) 3_545 1_655
Se1 In Se2 84.56(12) 3 1_655
Ag3 Se1 Ag3 90.49(14) 3_445 3_455
Ag3 Se1 Sb2 92.85(12) 3_445 .
Ag3 Se1 Sb2 92.85(12) 3_455 .
Ag3 Se1 In 172.79(16) 3_445 3_455
Ag3 Se1 In 90.54(5) 3_455 3_455
Sb2 Se1 In 94.23(11) . 3_455
Ag3 Se1 In 90.54(5) 3_445 3_445
Ag3 Se1 In 172.79(16) 3_455 3_445
Sb2 Se1 In 94.23(11) . 3_445
In Se1 In 87.56(14) 3_455 3_445
Ag3 Se1 Sb3 90.41(11) 3_445 .
Ag3 Se1 Sb3 90.41(11) 3_455 .
Sb2 Se1 Sb3 175.37(19) . .
In Se1 Sb3 82.44(11) 3_455 .
In Se1 Sb3 82.44(11) 3_445 .
Ag3 Se2 Ag3 90.31(18) 3_455 3_445
Ag3 Se2 Sb2 179.6(3) 3_455 3_445
Ag3 Se2 Sb2 89.722(18) 3_445 3_445
Ag3 Se2 Sb2 89.722(18) 3_455 3_455
Ag3 Se2 Sb2 179.6(3) 3_445 3_455
Sb2 Se2 Sb2 90.25(18) 3_445 3_455
Ag3 Se2 Sb1 93.61(14) 3_455 .
Ag3 Se2 Sb1 93.61(14) 3_445 .
Sb2 Se2 Sb1 86.79(16) 3_445 .
Sb2 Se2 Sb1 86.79(16) 3_455 .
Ag3 Se2 In 86.62(16) 3_455 1_455
Ag3 Se2 In 86.62(16) 3_445 1_455
Sb2 Se2 In 92.98(14) 3_445 1_455
Sb2 Se2 In 92.98(14) 3_455 1_455
Sb1 Se2 In 179.7(2) . 1_455
In Se3 In 93.63(14) 3_445 3_455
In Se3 Ag3 91.13(12) 3_445 .
In Se3 Ag3 91.13(12) 3_455 .
In Se3 Sb3 174.52(13) 3_445 3
In Se3 Sb3 91.46(5) 3_455 3
Ag3 Se3 Sb3 90.79(11) . 3
In Se3 Sb3 91.46(5) 3_445 3_545
In Se3 Sb3 174.52(13) 3_455 3_545
Ag3 Se3 Sb3 90.79(11) . 3_545
Sb3 Se3 Sb3 83.38(12) 3 3_545
In Se4 Sb3 94.39(13) . 3_545
In Se4 Sb3 94.39(13) . 3
Sb3 Se4 Sb3 96.82(16) 3_545 3
Sb1 Se5 Sb1 93.89(12) 3 3_545
Sb1 Se5 Sb2 91.01(11) 3 .
Sb1 Se5 Sb2 91.01(11) 3_545 .
Sb1 Se5 Ag1 174.43(12) 3 3_546
Sb1 Se5 Ag1 91.41(5) 3_545 3_546
Sb2 Se5 Ag1 90.58(10) . 3_546
Sb1 Se5 Sb6 174.43(12) 3 3_546
Sb1 Se5 Sb6 91.41(5) 3_545 3_546
Sb2 Se5 Sb6 90.58(10) . 3_546
Ag1 Se5 Sb6 0.00(7) 3_546 3_546
Sb1 Se5 Ag1 91.41(5) 3 3_556
Sb1 Se5 Ag1 174.43(12) 3_545 3_556
Sb2 Se5 Ag1 90.58(10) . 3_556
Ag1 Se5 Ag1 83.24(11) 3_546 3_556
Sb6 Se5 Ag1 83.24(11) 3_546 3_556
Sb1 Se5 Sb6 91.41(5) 3 3_556
Sb1 Se5 Sb6 174.43(12) 3_545 3_556
Sb2 Se5 Sb6 90.58(10) . 3_556
Ag1 Se5 Sb6 83.24(11) 3_546 3_556
Sb6 Se5 Sb6 83.24(11) 3_546 3_556
Ag1 Se5 Sb6 0.00(10) 3_556 3_556
Sb2 Se6 Sb2 90.99(13) 3 3_545
Sb2 Se6 Ag3 93.20(12) 3 .
Sb2 Se6 Ag3 93.20(12) 3_545 .
Sb2 Se6 Sb1 172.85(16) 3 3_545
Sb2 Se6 Sb1 90.70(5) 3_545 3_545
Ag3 Se6 Sb1 93.63(10) . 3_545
Sb2 Se6 Sb1 90.70(5) 3 3
Sb2 Se6 Sb1 172.85(16) 3_545 3
Ag3 Se6 Sb1 93.63(10) . 3
Sb1 Se6 Sb1 86.79(13) 3_545 3
Sb2 Se6 Ag1 90.68(11) 3 1_656
Sb2 Se6 Ag1 90.68(11) 3_545 1_656
Ag3 Se6 Ag1 174.46(17) . 1_656
Sb1 Se6 Ag1 82.36(10) 3_545 1_656
Sb1 Se6 Ag1 82.36(10) 3 1_656
Sb2 Se6 Sb6 90.68(11) 3 1_656
Sb2 Se6 Sb6 90.68(11) 3_545 1_656
Ag3 Se6 Sb6 174.46(17) . 1_656
Sb1 Se6 Sb6 82.36(10) 3_545 1_656
Sb1 Se6 Sb6 82.36(10) 3 1_656
Ag1 Se6 Sb6 0.00(7) 1_656 1_656
Sb1 Se7 Ag1 94.18(13) 1_554 3
Sb1 Se7 Sb6 94.18(13) 1_554 3
Ag1 Se7 Sb6 0.00(12) 3 3
Sb1 Se7 Sb6 94.18(13) 1_554 3_545
Ag1 Se7 Sb6 96.35(15) 3 3_545
Sb6 Se7 Sb6 96.35(15) 3 3_545
Sb1 Se7 Ag1 94.18(13) 1_554 3_545
Ag1 Se7 Ag1 96.35(15) 3 3_545
Sb6 Se7 Ag1 96.35(15) 3 3_545
Sb6 Se7 Ag1 0.00(12) 3_545 3_545
Sb4 Se8 Ag2 94.1(2) 1_545 3
Sb4 Se8 Ag2 94.1(2) 1_545 3_545
Ag2 Se8 Ag2 90.2(2) 3 3_545
Sb4 Se8 Sb5 96.44(11) 1_545 3_445
Ag2 Se8 Sb5 169.2(2) 3 3_445
Ag2 Se8 Sb5 91.42(11) 3_545 3_445
Sb4 Se8 Sb5 96.44(11) 1_545 3_455
Ag2 Se8 Sb5 91.42(11) 3 3_455
Ag2 Se8 Sb5 169.2(2) 3_545 3_455
Sb5 Se8 Sb5 85.06(9) 3_445 3_455
Sb5 Se9 Ag2 92.6(2) . 3_545
Sb5 Se9 Ag2 92.6(2) . 3
Ag2 Se9 Ag2 90.4(2) 3_545 3
Sb5 Se9 Sb4 97.91(11) . 3_545
Ag2 Se9 Sb4 169.4(3) 3_545 3_545
Ag2 Se9 Sb4 90.14(11) 3 3_545
Sb5 Se9 Sb4 97.91(11) . 3_535
Ag2 Se9 Sb4 90.14(11) 3_545 3_535
Ag2 Se9 Sb4 169.4(3) 3 3_535
Sb4 Se9 Sb4 87.37(9) 3_545 3_535
Ag2 Se10 Sb3 132.6(2) . .
Ag2 Se10 Sb4 97.98(19) . 3_435
Sb3 Se10 Sb4 114.36(18) . 3_435
Ag2 Se10 Sb4 97.98(19) . 3_445
Sb3 Se10 Sb4 114.36(18) . 3_445
Sb4 Se10 Sb4 90.92(14) 3_435 3_445
Ag2 Se11 Sb6 133.5(2) . .
Ag2 Se11 Sb5 98.4(2) . 3_455
Sb6 Se11 Sb5 112.77(18) . 3_455
Ag2 Se11 Sb5 98.42(19) . 3_445
Sb6 Se11 Sb5 112.77(18) . 3_445
Sb5 Se11 Sb5 93.09(15) 3_455 3_445
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 Se7 2.686(4) 1_556
Sb1 Se5 2.795(3) 3_445
Sb1 Se5 2.795(3) 3_455
Sb1 Se6 2.972(4) 3_455
Sb1 Se6 2.972(4) 3_445
Sb1 Se2 2.985(6) .
Sb2 Se5 2.857(4) .
Sb2 Se6 2.864(3) 3_445
Sb2 Se6 2.864(3) 3_455
Sb2 Se2 2.882(5) 3
Sb2 Se2 2.882(4) 3_545
Sb2 Se1 2.897(4) .
Sb3 Se10 2.647(5) .
Sb3 Se4 2.731(3) 3_455
Sb3 Se4 2.731(3) 3_445
Sb3 Se3 3.071(4) 3_445
Sb3 Se3 3.071(4) 3_455
Sb3 Se1 3.088(5) .
Sb4 Se8 2.604(4) 1_565
Sb4 Se10 2.865(3) 3_565
Sb4 Se10 2.865(3) 3
Sb4 Se9 2.957(2) 3_455
Sb4 Se9 2.957(2) 3_465
Sb5 Se9 2.609(4) .
Sb5 Se11 2.813(4) 3_545
Sb5 Se11 2.813(4) 3
Sb5 Se8 3.021(3) 3
Sb5 Se8 3.021(3) 3_545
Sb6 Se11 2.646(6) .
Sb6 Se7 2.740(3) 3_445
Sb6 Se7 2.740(3) 3_455
Sb6 Se6 3.063(5) 1_454
Sb6 Se5 3.075(3) 3_454
Sb6 Se5 3.075(3) 3_444
Ag2 Se11 2.422(11) .
Ag2 Se10 2.450(11) .
Ag2 Se9 2.877(6) 3_455
Ag2 Se9 2.877(6) 3_445
Ag2 Se8 2.883(6) 3_445
Ag2 Se8 2.883(6) 3_455
Ag3 Se3 2.875(5) .
Ag3 Se1 2.876(3) 3
Ag3 Se1 2.876(3) 3_545
Ag3 Se2 2.880(5) 3_545
Ag3 Se2 2.880(5) 3
Ag3 Se6 2.892(4) .
In Se4 2.696(4) .
In Se3 2.801(3) 3
In Se3 2.801(3) 3_545
In Se1 2.952(4) 3_545
In Se1 2.952(4) 3
In Se2 3.026(6) 1_655
Se1 Ag3 2.876(3) 3_445
Se1 Ag3 2.876(3) 3_455
Se1 In 2.952(4) 3_455
Se1 In 2.952(4) 3_445
Se2 Ag3 2.880(5) 3_455
Se2 Ag3 2.880(5) 3_445
Se2 Sb2 2.882(4) 3_445
Se2 Sb2 2.882(4) 3_455
Se2 In 3.026(6) 1_455
Se3 In 2.801(3) 3_445
Se3 In 2.801(3) 3_455
Se3 Sb3 3.071(4) 3
Se3 Sb3 3.071(4) 3_545
Se4 Sb3 2.731(3) 3_545
Se4 Sb3 2.731(3) 3
Se5 Sb1 2.795(3) 3
Se5 Sb1 2.795(3) 3_545
Se5 Ag1 3.075(3) 3_546
Se5 Sb6 3.075(3) 3_546
Se5 Ag1 3.075(3) 3_556
Se5 Sb6 3.075(3) 3_556
Se6 Sb2 2.864(3) 3
Se6 Sb2 2.864(3) 3_545
Se6 Sb1 2.972(4) 3_545
Se6 Sb1 2.972(4) 3
Se6 Ag1 3.063(5) 1_656
Se6 Sb6 3.063(5) 1_656
Se7 Sb1 2.686(4) 1_554
Se7 Ag1 2.740(3) 3
Se7 Sb6 2.740(3) 3
Se7 Sb6 2.740(3) 3_545
Se7 Ag1 2.740(3) 3_545
Se8 Sb4 2.604(4) 1_545
Se8 Ag2 2.883(6) 3
Se8 Ag2 2.883(6) 3_545
Se8 Sb5 3.021(3) 3_445
Se8 Sb5 3.021(3) 3_455
Se9 Ag2 2.877(6) 3_545
Se9 Ag2 2.877(6) 3
Se9 Sb4 2.957(2) 3_545
Se9 Sb4 2.957(2) 3_535
Se10 Sb4 2.865(3) 3_435
Se10 Sb4 2.865(3) 3_445
Se11 Sb5 2.813(4) 3_455
Se11 Sb5 2.813(4) 3_445
