#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:30:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179064 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/26/4302601.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_4302601
loop_
_publ_author_name
'Chi-Shen Lee'
'Ming-Fang Wang'
'Wen-Hen Huang'
_publ_contact_author_address
;Department of Applied Chemistry
National Chiao Tung University
1001 University Rd, Hsinchu, 30010, Taiwan
;
_publ_contact_author_email       chishen@mail.nctu.edu.tw
_publ_contact_author_fax         1-886-3-5723764
_publ_contact_author_name        'Chi-Shen Lee'
_publ_contact_author_phone       1-886-3-5131332
_publ_section_title
;
Synthesis and Phase Width of Quaternary Selenides Pb4InxM6-xSe13 (M =
Bi,x= 2.1-2.8; Sb,x= 2)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6402
_journal_page_last               6408
_journal_paper_doi               10.1021/ic8023875
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         Pb4In2Sb4Se13
_chemical_formula_sum            'In2 Pb4 Sb4 Se13'
_chemical_formula_weight         2571.96
_chemical_name_systematic        'indium lead antimony selenide (2/4/4/13)'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.722(4)
_cell_length_b                   27.140(5)
_cell_length_c                   4.0621(8)
_cell_measurement_reflns_used    27207
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.56
_cell_measurement_theta_min      1.20
_cell_volume                     2394.8(8)
_computing_cell_refinement       'Bruker Smart Apex'
_computing_data_collection       'Bruker Smart Apex'
_computing_data_reduction        'Bruker Smart Apex'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0969
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            27207
_diffrn_reflns_theta_full        28.56
_diffrn_reflns_theta_max         28.56
_diffrn_reflns_theta_min         1.20
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker Apex CCD'
_exptl_absorpt_coefficient_mu    54.082
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.423356
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 The absorption correction was based on 7171 symmetry-equivalent reflections
 using the SADABS program. Sheldric, G. M. (1996). SADABS. Bruker Area Detector 
 Absorption Correction Software. University of Gottingen, Germany. 
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             4288
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.025
_exptl_crystal_size_min          0.02
_refine_diff_density_max         7.429
_refine_diff_density_min         -2.677
_refine_diff_density_rms         0.584
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.201
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         3471
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.201
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0576
_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)+(0.0575P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1247
_refine_ls_wR_factor_ref         0.1339
_reflns_number_gt                2571
_reflns_number_total             3471
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8023875_si_002_1.cif
_cod_data_source_block           Pb4In2Sb4Se13
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (56
times).

'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (30
times).

'_geom_angle_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2394.7(8)
_cod_database_code               4302601
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
Pb1 Pb 0.62318(5) 0.74967(4) 0.5000 0.0389(3) Uani 1 2 d S . .
Pb2 Pb 0.17786(6) 0.07233(4) 0.5000 0.0362(3) Uani 1 2 d S . .
Pb3 Pb 0.16845(5) 0.22861(4) 0.5000 0.0343(3) Uani 1 2 d S . .
Pb4 Pb 0.46860(5) 0.84970(4) 0.5000 0.0315(2) Uani 1 2 d S . .
Sb5 Sb 0.88878(7) 0.08401(6) 0.5000 0.0219(3) Uani 1 2 d S . .
Sb6 Sb 0.65414(7) 0.02050(5) 0.5000 0.0192(3) Uani 1 2 d S . .
Sb7 Sb 0.64695(8) 0.89091(6) 0.0000 0.0267(4) Uani 1 2 d S . .
Sb8 Sb 0.02216(7) 0.15881(7) 0.0000 0.0298(4) Uani 1 2 d S . .
In9 In 0.5000 0.0000 0.0000 0.0230(5) Uani 1 4 d S . .
In10 In 0.0000 0.0000 0.0000 0.0214(5) Uani 1 4 d S . .
In11 In 0.72995(9) 0.15562(6) 0.0000 0.0259(4) Uani 1 2 d S . .
Se1 Se 0.02456(10) 0.22247(8) 0.5000 0.0213(5) Uani 1 2 d S . .
Se2 Se 0.75152(11) 0.09810(8) 0.5000 0.0227(5) Uani 1 2 d S . .
Se3 Se 0.56292(10) 0.81923(9) 0.0000 0.0220(5) Uani 1 2 d S . .
Se4 Se 0.87796(10) 0.01524(8) 0.0000 0.0224(5) Uani 1 2 d S . .
Se5 Se 0.58756(11) 0.06825(9) 0.0000 0.0256(5) Uani 1 2 d S . .
Se6 Se 0.56318(11) 0.94777(8) 0.5000 0.0226(5) Uani 1 2 d S . .
Se7 Se 0.14303(11) 0.14365(8) 0.0000 0.0207(5) Uani 1 2 d S . .
Se8 Se 0.37851(10) 0.80422(8) 0.0000 0.0213(5) Uani 1 2 d S . .
Se9 Se 0.01522(11) 0.07094(8) 0.5000 0.0230(5) Uani 1 2 d S . .
Se10 Se 0.71869(12) 0.97490(9) 0.0000 0.0283(5) Uani 1 2 d S . .
Se11 Se 0.89748(12) 0.15332(9) 0.0000 0.0281(5) Uani 1 2 d S . .
Se12 Se 0.71098(11) 0.85312(8) 0.5000 0.0236(5) Uani 1 2 d S . .
Se13 Se 0.72544(10) 0.74308(9) 0.0000 0.0212(5) 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
Se Se -0.0929 2.2259 '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'
Pb Pb -3.3944 10.1111 '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
Se13 Pb1 Se13 84.69(7) 1_556 . no
Se13 Pb1 Se3 84.54(5) 1_556 1_556 ?
Se13 Pb1 Se3 142.86(8) . 1_556 ?
Se13 Pb1 Se3 142.86(8) 1_556 . ?
Se13 Pb1 Se3 84.54(5) . . ?
Se3 Pb1 Se3 82.96(6) 1_556 . ?
Se7 Pb2 Se7 88.68(7) 1_556 . ?
Se7 Pb2 Se12 76.81(6) 1_556 5_666 ?
Se7 Pb2 Se12 76.81(6) . 5_666 ?
Se8 Pb3 Se8 83.10(6) 3_546 3_545 ?
Se8 Pb3 Se7 150.17(7) 3_546 . ?
Se8 Pb3 Se7 90.26(5) 3_545 . ?
Se8 Pb3 Se7 90.26(5) 3_546 1_556 ?
Se8 Pb3 Se7 150.17(7) 3_545 1_556 ?
Se7 Pb3 Se7 81.17(6) . 1_556 ?
Se8 Pb3 Se1 72.72(6) 3_546 . ?
Se8 Pb3 Se1 72.72(6) 3_545 . ?
Se7 Pb3 Se1 77.53(6) . . ?
Se7 Pb3 Se1 77.53(6) 1_556 . ?
Se8 Pb3 Se13 69.78(5) 3_546 5_666 ?
Se8 Pb3 Se13 120.35(7) 3_545 5_666 ?
Se7 Pb3 Se13 136.49(7) . 5_666 ?
Se7 Pb3 Se13 83.72(5) 1_556 5_666 ?
Se1 Pb3 Se13 137.71(4) . 5_666 ?
Se8 Pb3 Se13 120.35(7) 3_546 5_665 ?
Se8 Pb3 Se13 69.78(5) 3_545 5_665 ?
Se7 Pb3 Se13 83.72(5) . 5_665 ?
Se7 Pb3 Se13 136.49(7) 1_556 5_665 ?
Se1 Pb3 Se13 137.71(4) . 5_665 ?
Se13 Pb3 Se13 79.79(6) 5_666 5_665 ?
Se3 Pb4 Se3 85.19(7) 1_556 . ?
Se3 Pb4 Se8 140.35(7) 1_556 . ?
Se3 Pb4 Se8 82.94(5) . . ?
Se3 Pb4 Se8 82.94(5) 1_556 1_556 ?
Se3 Pb4 Se8 140.35(7) . 1_556 ?
Se8 Pb4 Se8 82.56(6) . 1_556 ?
Se3 Pb4 Se5 91.27(5) 1_556 5_666 ?
Se3 Pb4 Se5 150.18(7) . 5_666 ?
Se8 Pb4 Se5 116.63(6) . 5_666 ?
Se8 Pb4 Se5 67.91(5) 1_556 5_666 ?
Se3 Pb4 Se5 150.18(7) 1_556 5_665 ?
Se3 Pb4 Se5 91.27(5) . 5_665 ?
Se8 Pb4 Se5 67.91(5) . 5_665 ?
Se8 Pb4 Se5 116.63(6) 1_556 5_665 ?
Se5 Pb4 Se5 77.31(6) 5_666 5_665 ?
Se4 Sb5 Se4 94.39(8) . 1_556 ?
Se4 Sb5 Se9 89.88(7) . 1_655 ?
Se4 Sb5 Se9 89.88(7) 1_556 1_655 ?
Se4 Sb5 Se11 179.01(10) . 1_556 ?
Se4 Sb5 Se11 85.74(5) 1_556 1_556 ?
Se9 Sb5 Se11 91.10(8) 1_655 1_556 ?
Se4 Sb5 Se11 85.74(5) . . ?
Se4 Sb5 Se11 179.01(10) 1_556 . ?
Se9 Sb5 Se11 91.10(8) 1_655 . ?
Se11 Sb5 Se11 94.11(9) 1_556 . ?
Se4 Sb5 Se2 90.09(7) . . ?
Se4 Sb5 Se2 90.09(7) 1_556 . ?
Se9 Sb5 Se2 179.95(9) 1_655 . ?
Se11 Sb5 Se2 88.93(7) 1_556 . ?
Se11 Sb5 Se2 88.93(7) . . ?
Se10 Sb6 Se10 94.72(9) 1_546 1_545 ?
Se10 Sb6 Se6 92.43(7) 1_546 1_545 ?
Se10 Sb6 Se6 92.43(7) 1_545 1_545 ?
Se10 Sb6 Se5 178.88(7) 1_546 . ?
Se10 Sb6 Se5 86.35(5) 1_545 . ?
Se6 Sb6 Se5 87.82(7) 1_545 . ?
Se10 Sb6 Se5 86.35(5) 1_546 1_556 ?
Se10 Sb6 Se5 178.88(7) 1_545 1_556 ?
Se6 Sb6 Se5 87.82(7) 1_545 1_556 ?
Se5 Sb6 Se5 92.57(8) . 1_556 ?
Se10 Sb6 Se2 87.50(7) 1_546 . ?
Se10 Sb6 Se2 87.50(7) 1_545 . ?
Se6 Sb6 Se2 179.90(9) 1_545 . ?
Se5 Sb6 Se2 92.25(7) . . ?
Se5 Sb6 Se2 92.25(7) 1_556 . ?
Se12 Sb7 Se12 99.22(9) 1_554 . ?
Se12 Sb7 Se3 94.38(7) 1_554 . ?
Se12 Sb7 Se3 94.38(7) . . ?
Se12 Sb7 Se10 91.33(8) 1_554 . ?
Se12 Sb7 Se10 91.33(8) . . ?
Se3 Sb7 Se10 171.18(10) . . ?
Se7 Sb8 Se1 94.64(7) . . ?
Se7 Sb8 Se1 94.64(7) . 1_554 ?
Se1 Sb8 Se1 99.20(9) . 1_554 ?
Se7 Sb8 Se11 167.95(11) . 1_455 ?
Se1 Sb8 Se11 93.16(7) . 1_455 ?
Se1 Sb8 Se11 93.16(7) 1_554 1_455 ?
Se5 In9 Se5 180.00(10) 5_655 . ?
Se5 In9 Se6 90.12(6) 5_655 5_666 ?
Se5 In9 Se6 89.88(6) . 5_666 ?
Se5 In9 Se6 89.88(6) 5_655 1_544 ?
Se5 In9 Se6 90.12(6) . 1_544 ?
Se6 In9 Se6 180.00(11) 5_666 1_544 ?
Se5 In9 Se6 89.88(6) 5_655 1_545 ?
Se5 In9 Se6 90.12(6) . 1_545 ?
Se6 In9 Se6 88.34(7) 5_666 1_545 ?
Se6 In9 Se6 91.66(7) 1_544 1_545 ?
Se5 In9 Se6 90.12(6) 5_655 5_665 ?
Se5 In9 Se6 89.88(6) . 5_665 ?
Se6 In9 Se6 91.66(7) 5_666 5_665 ?
Se6 In9 Se6 88.34(7) 1_544 5_665 ?
Se6 In9 Se6 180.00(11) 1_545 5_665 ?
Se4 In10 Se4 180.00(10) 5_655 1_455 ?
Se4 In10 Se9 90.61(6) 5_655 5 ?
Se4 In10 Se9 89.39(6) 1_455 5 ?
Se4 In10 Se9 89.39(6) 5_655 . ?
Se4 In10 Se9 90.61(6) 1_455 . ?
Se9 In10 Se9 180.00(7) 5 . ?
Se4 In10 Se9 90.61(6) 5_655 5_556 ?
Se4 In10 Se9 89.39(6) 1_455 5_556 ?
Se9 In10 Se9 92.23(7) 5 5_556 ?
Se9 In10 Se9 87.77(7) . 5_556 ?
Se4 In10 Se9 89.39(6) 5_655 1_554 ?
Se4 In10 Se9 90.61(6) 1_455 1_554 ?
Se9 In10 Se9 87.77(7) 5 1_554 ?
Se9 In10 Se9 92.23(7) . 1_554 ?
Se9 In10 Se9 180.00(11) 5_556 1_554 ?
Se13 In11 Se8 87.38(9) 3_645 5_665 ?
Se13 In11 Se2 119.14(7) 3_645 1_554 ?
Se8 In11 Se2 114.52(7) 5_665 1_554 ?
Se13 In11 Se2 119.14(7) 3_645 . ?
Se8 In11 Se2 114.52(7) 5_665 . ?
Se2 In11 Se2 102.51(9) 1_554 . ?
Sb8 Se1 Sb8 99.20(9) . 1_556 ?
Sb8 Se1 Pb3 93.10(7) . . ?
Sb8 Se1 Pb3 93.10(7) 1_556 . ?
In11 Se2 In11 102.51(9) 1_556 . ?
In11 Se2 Sb6 107.18(8) 1_556 . ?
In11 Se2 Sb6 107.18(8) . . ?
In11 Se2 Sb5 104.76(8) 1_556 . ?
In11 Se2 Sb5 104.76(8) . . ?
Sb6 Se2 Sb5 127.82(9) . . ?
Sb7 Se3 Pb4 105.44(7) . 1_554 ?
Sb7 Se3 Pb4 105.44(7) . . ?
Pb4 Se3 Pb4 85.19(7) 1_554 . ?
Sb7 Se3 Pb1 99.03(7) . 1_554 ?
Pb4 Se3 Pb1 90.73(3) 1_554 1_554 ?
Pb4 Se3 Pb1 155.41(9) . 1_554 ?
Sb7 Se3 Pb1 99.03(7) . . ?
Pb4 Se3 Pb1 155.41(9) 1_554 . ?
Pb4 Se3 Pb1 90.73(3) . . ?
Pb1 Se3 Pb1 82.96(6) 1_554 . ?
In10 Se4 Sb5 91.15(7) 1_655 . ?
In10 Se4 Sb5 91.15(7) 1_655 1_554 ?
Sb5 Se4 Sb5 94.39(8) . 1_554 ?
In9 Se5 Sb6 92.69(7) . . ?
In9 Se5 Sb6 92.69(7) . 1_554 ?
Sb6 Se5 Sb6 92.57(8) . 1_554 ?
In9 Se5 Pb4 102.07(7) . 5_666 ?
Sb6 Se5 Pb4 93.30(3) . 5_666 ?
Sb6 Se5 Pb4 163.83(9) 1_554 5_666 ?
In9 Se5 Pb4 102.07(7) . 5_665 ?
Sb6 Se5 Pb4 163.83(9) . 5_665 ?
Sb6 Se5 Pb4 93.30(3) 1_554 5_665 ?
Pb4 Se5 Pb4 77.31(6) 5_666 5_665 ?
Sb6 Se6 In9 89.37(6) 1_565 1_566 ?
Sb6 Se6 In9 89.37(6) 1_565 1_565 ?
In9 Se6 In9 91.66(7) 1_566 1_565 ?
Sb8 Se7 Pb2 111.12(7) . 1_554 ?
Sb8 Se7 Pb2 111.12(7) . . ?
Pb2 Se7 Pb2 88.68(7) 1_554 . ?
Sb8 Se7 Pb3 93.47(7) . . ?
Pb2 Se7 Pb3 154.24(9) 1_554 . ?
Pb2 Se7 Pb3 89.49(3) . . ?
Sb8 Se7 Pb3 93.47(7) . 1_554 ?
Pb2 Se7 Pb3 89.49(3) 1_554 1_554 ?
Pb2 Se7 Pb3 154.24(9) . 1_554 ?
Pb3 Se7 Pb3 81.17(6) . 1_554 ?
In11 Se8 Pb3 88.80(7) 5_665 3 ?
In11 Se8 Pb3 88.80(7) 5_665 3_556 ?
Pb3 Se8 Pb3 83.10(6) 3 3_556 ?
In11 Se8 Pb4 114.11(7) 5_665 . ?
Pb3 Se8 Pb4 156.63(9) 3 . ?
Pb3 Se8 Pb4 92.46(3) 3_556 . ?
In11 Se8 Pb4 114.11(7) 5_665 1_554 ?
Pb3 Se8 Pb4 92.46(3) 3 1_554 ?
Pb3 Se8 Pb4 156.63(9) 3_556 1_554 ?
Pb4 Se8 Pb4 82.56(6) . 1_554 ?
Sb5 Se9 In10 88.34(6) 1_455 . ?
Sb5 Se9 In10 88.34(6) 1_455 1_556 ?
In10 Se9 In10 92.23(7) . 1_556 ?
Sb6 Se10 Sb6 94.72(9) 1_564 1_565 ?
Sb6 Se10 Sb7 94.79(8) 1_564 . ?
Sb6 Se10 Sb7 94.79(8) 1_565 . ?
Sb8 Se11 Sb5 96.04(8) 1_655 1_554 ?
Sb8 Se11 Sb5 96.04(8) 1_655 . ?
Sb5 Se11 Sb5 94.11(9) 1_554 . ?
Sb7 Se12 Sb7 99.22(9) 1_556 . ?
Sb7 Se12 Pb2 98.79(7) 1_556 5_666 ?
Sb7 Se12 Pb2 98.79(7) . 5_666 ?
In11 Se13 Pb1 109.47(7) 3_655 . ?
In11 Se13 Pb1 109.47(7) 3_655 1_554 ?
Pb1 Se13 Pb1 84.69(7) . 1_554 ?
In11 Se13 Pb3 87.11(7) 3_655 5_666 ?
Pb1 Se13 Pb3 95.15(3) . 5_666 ?
Pb1 Se13 Pb3 162.52(9) 1_554 5_666 ?
In11 Se13 Pb3 87.11(7) 3_655 5_665 ?
Pb1 Se13 Pb3 162.52(9) . 5_665 ?
Pb1 Se13 Pb3 95.15(3) 1_554 5_665 ?
Pb3 Se13 Pb3 79.79(6) 5_666 5_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
Pb1 Se13 3.0151(19) 1_556 yes
Pb1 Se13 3.0151(19) . yes
Pb1 Se3 3.0664(19) 1_556 yes
Pb1 Se3 3.0664(19) . yes
Pb2 Se7 2.9059(17) 1_556 yes
Pb2 Se7 2.9059(17) . yes
Pb2 Se12 3.150(3) 5_666 yes
Pb3 Se8 3.0621(19) 3_546 yes
Pb3 Se8 3.0621(18) 3_545 yes
Pb3 Se7 3.1219(19) . yes
Pb3 Se7 3.1219(19) 1_556 yes
Pb3 Se1 3.130(3) . yes
Pb3 Se13 3.167(2) 5_666 yes
Pb3 Se13 3.167(2) 5_665 yes
Pb4 Se3 3.0010(19) 1_556 yes
Pb4 Se3 3.0010(19) . yes
Pb4 Se8 3.0787(19) . yes
Pb4 Se8 3.0787(19) 1_556 yes
Pb4 Se5 3.252(2) 5_666 yes
Pb4 Se5 3.252(2) 5_665 yes
Sb5 Se4 2.7685(19) . yes
Sb5 Se4 2.7685(19) 1_556 yes
Sb5 Se9 2.769(3) 1_655 yes
Sb5 Se11 2.775(2) 1_556 yes
Sb5 Se11 2.775(2) . yes
Sb5 Se2 3.006(3) . yes
Sb6 Se10 2.7609(19) 1_546 yes
Sb6 Se10 2.7609(19) 1_545 yes
Sb6 Se6 2.793(3) 1_545 yes
Sb6 Se5 2.810(2) . yes
Sb6 Se5 2.810(2) 1_556 yes
Sb6 Se2 2.985(3) . yes
Sb7 Se12 2.6667(19) 1_554 yes
Sb7 Se12 2.6667(19) . yes
Sb7 Se3 2.668(3) . yes
Sb7 Se10 2.761(3) . yes
Sb8 Se7 2.657(3) . yes
Sb8 Se1 2.6671(19) . yes
Sb8 Se1 2.6671(19) 1_554 yes
Sb8 Se11 2.712(3) 1_455 yes
In9 Se5 2.655(2) 5_655 yes
In9 Se5 2.655(2) . yes
In9 Se6 2.8317(16) 5_666 yes
In9 Se6 2.8317(16) 1_544 yes
In9 Se6 2.8317(16) 1_545 yes
In9 Se6 2.8317(16) 5_665 yes
In10 Se4 2.683(2) 5_655 yes
In10 Se4 2.683(2) 1_455 yes
In10 Se9 2.8181(16) 5 yes
In10 Se9 2.8181(16) . yes
In10 Se9 2.8181(16) 5_556 yes
In10 Se9 2.8181(16) 1_554 yes
In11 Se13 2.564(3) 3_645 yes
In11 Se8 2.596(3) 5_665 yes
In11 Se2 2.6041(17) 1_554 yes
In11 Se2 2.6041(17) . yes
Se1 Sb8 2.6671(19) 1_556 no
Se2 In11 2.6041(17) 1_556 no
Se3 Pb4 3.0010(19) 1_554 no
Se3 Pb1 3.0664(19) 1_554 no
Se4 In10 2.683(2) 1_655 no
Se4 Sb5 2.7685(19) 1_554 no
Se5 Sb6 2.810(2) 1_554 no
Se5 Pb4 3.252(2) 5_666 no
Se5 Pb4 3.252(2) 5_665 no
Se6 Sb6 2.793(3) 1_565 no
Se6 In9 2.8317(16) 1_566 no
Se6 In9 2.8317(16) 1_565 no
Se7 Pb2 2.9059(17) 1_554 no
Se7 Pb3 3.1219(19) 1_554 no
Se8 In11 2.596(3) 5_665 no
Se8 Pb3 3.0621(19) 3 no
Se8 Pb3 3.0621(19) 3_556 no
Se8 Pb4 3.0787(19) 1_554 no
Se9 Sb5 2.769(3) 1_455 no
Se9 In10 2.8181(16) 1_556 no
Se10 Sb6 2.7609(19) 1_564 no
Se10 Sb6 2.7609(19) 1_565 no
Se11 Sb8 2.712(3) 1_655 no
Se11 Sb5 2.775(2) 1_554 no
Se12 Sb7 2.6667(19) 1_556 no
Se12 Pb2 3.150(3) 5_666 no
Se13 In11 2.564(3) 3_655 no
Se13 Pb1 3.0151(19) 1_554 no
Se13 Pb3 3.167(2) 5_666 no
Se13 Pb3 3.167(2) 5_665 no
