#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:39:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179510 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/07/4340716.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_4340716
loop_
_publ_author_name
'Olvera, Alan'
'Shi, Guangsha'
'Djieutedjeu, Honore'
'Page, Alexander'
'Uher, Ctirad'
'Kioupakis, Emmanouil'
'Poudeu, Pierre F. P.'
_publ_section_title
;
 Pb7Bi4Se13: A Lillianite Homologue with Promising Thermoelectric
 Properties.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              746
_journal_page_last               755
_journal_paper_doi               10.1021/ic501327u
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'Bi4 Pb7 Se13'
_chemical_formula_sum            'Bi4 Pb7 Se13'
_chemical_formula_weight         3312.8
_chemical_name_systematic
; 
Lead Bismuth Selenide (7/4/13)
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.954(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.9328(11)
_cell_length_b                   4.2455(3)
_cell_length_c                   23.2960(19)
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29
_cell_measurement_theta_min      3
_cell_volume                     1364.74(18)
_computing_cell_refinement       'CELL (STOE & Cie GmbH, Darmstadt, 2000)'
_computing_data_collection       'EXPOSE (STOE & Cie GmbH, Darmstadt, 2000)'
_computing_data_reduction
'INTEGRATE (STOE & Cie GmbH, Darmstadt, 2000)'
_computing_molecular_graphics    'Diamond (Brandenburg, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'IPDS-2T Stoe'
_diffrn_measurement_method
'fixed phi and incremental omega oscillation 0.5 degree, 5 min exposure time'
_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  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            10501
_diffrn_reflns_theta_full        29.11
_diffrn_reflns_theta_max         29.11
_diffrn_reflns_theta_min         4.91
_exptl_absorpt_coefficient_mu    86.013
_exptl_absorpt_correction_T_max  0.42
_exptl_absorpt_correction_T_min  0.06
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
crystal description from video camera using FACEIT 
(STOE & Cie GmbH, Darmstadt, 2003) and optimized with X-SHAPE 
(STOE & Cie GmbH, Darmstadt, 2003) 
using set of equivalent reflections 
;
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    8.061
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2696
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         4.441
_refine_diff_density_min         -2.725
_refine_diff_density_rms         0.575
_refine_ls_extinction_coef       0.00008(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   1.126
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_reflns         2040
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0292
_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)+(0.0315P)²+342.3320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0740
_reflns_number_gt                2040
_reflns_number_total             2040
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501327u_si_001.cif
_cod_data_source_block           Pb7Bi4Se13-100K
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical'
changed to 'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

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 

 Adding full bibliography for 4340716--4340717.cif.
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4340716
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
Bi1 Bi 0.24808(10) 0.0000 0.08594(5) 0.0086(2) Uani 1 2 d S
Bi2 Bi 0.56082(10) 0.5000 0.37740(5) 0.0119(3) Uani 1 2 d S
Pb1 Pb 0.5000 0.0000 0.0000 0.0110(4) Uani 1 4 d S
Pb2 Pb 0.85308(10) 0.5000 0.45652(5) 0.0094(3) Uani 1 2 d S
Pb3 Pb 0.49082(9) 0.5000 0.16252(5) 0.0102(3) Uani 1 2 d S
Pb4 Pb 0.76779(12) 0.0000 0.28003(7) 0.0220(4) Uani 1 2 d S
Se1 Se 0.3710(3) 0.5000 0.04056(13) 0.0072(5) Uani 1 2 d S
Se2 Se 0.6232(3) 0.0000 0.12058(15) 0.0137(7) Uani 1 2 d S
Se3 Se 0.7134(3) 0.0000 0.41325(15) 0.0118(6) Uani 1 2 d S
Se4 Se 0.3617(2) 0.0000 0.19475(13) 0.0097(6) Uani 1 2 d S
Se5 Se 0.9191(3) 0.5000 0.34761(13) 0.0094(6) Uani 1 2 d S
Se6 Se 0.0000 0.0000 0.5000 0.0071(8) Uani 1 4 d S
Se7 Se 0.6227(3) 0.5000 0.26902(13) 0.0114(6) 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'
Pb Pb -3.3944 10.1111 '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
Se4 Bi1 Se2 91.93(9) . 3_445
Se4 Bi1 Se2 91.93(9) . 3_455
Se2 Bi1 Se2 92.92(10) 3_445 3_455
Se4 Bi1 Se1 92.31(8) . .
Se2 Bi1 Se1 175.48(10) 3_445 .
Se2 Bi1 Se1 88.52(7) 3_455 .
Se4 Bi1 Se1 92.31(8) . 1_545
Se2 Bi1 Se1 88.52(7) 3_445 1_545
Se2 Bi1 Se1 175.48(10) 3_455 1_545
Se1 Bi1 Se1 89.72(10) . 1_545
Se4 Bi1 Se1 177.06(11) . 7
Se2 Bi1 Se1 90.10(9) 3_445 7
Se2 Bi1 Se1 90.10(9) 3_455 7
Se1 Bi1 Se1 85.61(8) . 7
Se1 Bi1 Se1 85.61(8) 1_545 7
Se7 Bi2 Se5 93.95(9) . 3_445
Se7 Bi2 Se5 93.95(9) . 3_455
Se5 Bi2 Se5 93.38(10) 3_445 3_455
Se7 Bi2 Se3 87.51(9) . .
Se5 Bi2 Se3 88.97(7) 3_445 .
Se5 Bi2 Se3 177.15(9) 3_455 .
Se7 Bi2 Se3 87.51(9) . 1_565
Se5 Bi2 Se3 177.15(9) 3_445 1_565
Se5 Bi2 Se3 88.97(7) 3_455 1_565
Se3 Bi2 Se3 88.64(10) . 1_565
Se7 Bi2 Se6 177.87(9) . 3
Se5 Bi2 Se6 87.51(7) 3_445 3
Se5 Bi2 Se6 87.51(7) 3_455 3
Se3 Bi2 Se6 90.97(8) . 3
Se3 Bi2 Se6 90.97(8) 1_565 3
Se1 Pb1 Se1 180.00(14) 5_665 1_545
Se1 Pb1 Se1 89.44(9) 5_665 5_655
Se1 Pb1 Se1 90.56(9) 1_545 5_655
Se1 Pb1 Se1 90.56(9) 5_665 .
Se1 Pb1 Se1 89.44(9) 1_545 .
Se1 Pb1 Se1 180.0 5_655 .
Se1 Pb1 Se2 89.73(7) 5_665 5_655
Se1 Pb1 Se2 90.27(7) 1_545 5_655
Se1 Pb1 Se2 89.73(7) 5_655 5_655
Se1 Pb1 Se2 90.27(7) . 5_655
Se1 Pb1 Se2 90.27(7) 5_665 .
Se1 Pb1 Se2 89.73(7) 1_545 .
Se1 Pb1 Se2 90.27(7) 5_655 .
Se1 Pb1 Se2 89.73(7) . .
Se2 Pb1 Se2 180.0 5_655 .
Se5 Pb2 Se3 88.53(9) . 1_565
Se5 Pb2 Se3 88.53(9) . .
Se3 Pb2 Se3 91.60(10) 1_565 .
Se5 Pb2 Se6 90.66(6) . 1_665
Se3 Pb2 Se6 89.62(5) 1_565 1_665
Se3 Pb2 Se6 178.52(7) . 1_665
Se5 Pb2 Se6 90.66(6) . 1_655
Se3 Pb2 Se6 178.52(7) 1_565 1_655
Se3 Pb2 Se6 89.62(5) . 1_655
Se6 Pb2 Se6 89.15(4) 1_665 1_655
Se5 Pb2 Se3 177.31(11) . 7_656
Se3 Pb2 Se3 93.34(9) 1_565 7_656
Se3 Pb2 Se3 93.34(9) . 7_656
Se6 Pb2 Se3 87.42(5) 1_665 7_656
Se6 Pb2 Se3 87.42(5) 1_655 7_656
Se7 Pb3 Se4 96.89(8) . .
Se7 Pb3 Se4 96.89(8) . 1_565
Se4 Pb3 Se4 92.18(10) . 1_565
Se7 Pb3 Se2 86.22(9) . .
Se4 Pb3 Se2 89.87(7) . .
Se4 Pb3 Se2 176.03(9) 1_565 .
Se7 Pb3 Se2 86.23(9) . 1_565
Se4 Pb3 Se2 176.03(9) . 1_565
Se4 Pb3 Se2 89.87(7) 1_565 1_565
Se2 Pb3 Se2 87.88(9) . 1_565
Se7 Pb3 Se1 173.11(12) . .
Se4 Pb3 Se1 87.87(8) . .
Se4 Pb3 Se1 87.87(8) 1_565 .
Se2 Pb3 Se1 88.81(9) . .
Se2 Pb3 Se1 88.81(9) 1_565 .
Se7 Pb4 Se7 93.35(11) 1_545 .
Se7 Pb4 Se5 87.84(8) 1_545 1_545
Se7 Pb4 Se5 156.20(10) . 1_545
Se7 Pb4 Se5 156.20(10) 1_545 .
Se7 Pb4 Se5 87.84(8) . .
Se5 Pb4 Se5 81.81(8) 1_545 .
Se7 Pb4 Se3 80.56(9) 1_545 .
Se7 Pb4 Se3 80.55(9) . .
Se5 Pb4 Se3 76.19(8) 1_545 .
Se5 Pb4 Se3 76.19(8) . .
Se7 Pb4 Se4 78.85(8) 1_545 3_545
Se7 Pb4 Se4 137.97(10) . 3_545
Se5 Pb4 Se4 65.53(7) 1_545 3_545
Se5 Pb4 Se4 115.38(9) . 3_545
Se3 Pb4 Se4 136.82(5) . 3_545
Se7 Pb4 Se4 137.97(10) 1_545 3
Se7 Pb4 Se4 78.85(8) . 3
Se5 Pb4 Se4 115.38(9) 1_545 3
Se5 Pb4 Se4 65.53(7) . 3
Se3 Pb4 Se4 136.82(5) . 3
Se4 Pb4 Se4 80.10(8) 3_545 3
Se7 Pb4 Se2 70.26(7) 1_545 .
Se7 Pb4 Se2 70.26(7) . .
Se5 Pb4 Se2 131.73(6) 1_545 .
Se5 Pb4 Se2 131.73(6) . .
Se3 Pb4 Se2 136.68(9) . .
Se4 Pb4 Se2 68.23(7) 3_545 .
Se4 Pb4 Se2 68.23(7) 3 .
Bi1 Se1 Bi1 89.72(10) 1_565 .
Bi1 Se1 Pb1 90.365(19) 1_565 1_565
Bi1 Se1 Pb1 177.50(12) . 1_565
Bi1 Se1 Pb1 177.50(12) 1_565 .
Bi1 Se1 Pb1 90.365(19) . .
Pb1 Se1 Pb1 89.44(9) 1_565 .
Bi1 Se1 Pb3 86.47(8) 1_565 .
Bi1 Se1 Pb3 86.47(8) . .
Pb1 Se1 Pb3 91.05(8) 1_565 .
Pb1 Se1 Pb3 91.05(8) . .
Bi1 Se1 Bi1 94.39(8) 1_565 7
Bi1 Se1 Bi1 94.39(8) . 7
Pb1 Se1 Bi1 88.09(7) 1_565 7
Pb1 Se1 Bi1 88.09(7) . 7
Pb3 Se1 Bi1 178.79(14) . 7
Bi1 Se2 Bi1 92.92(10) 3 3_545
Bi1 Se2 Pb3 176.84(11) 3 1_545
Bi1 Se2 Pb3 89.57(3) 3_545 1_545
Bi1 Se2 Pb3 89.57(3) 3 .
Bi1 Se2 Pb3 176.83(11) 3_545 .
Pb3 Se2 Pb3 87.88(9) 1_545 .
Bi1 Se2 Pb1 91.49(9) 3 .
Bi1 Se2 Pb1 91.49(9) 3_545 .
Pb3 Se2 Pb1 90.40(9) 1_545 .
Pb3 Se2 Pb1 90.40(9) . .
Bi1 Se2 Pb4 90.79(9) 3 .
Bi1 Se2 Pb4 90.79(9) 3_545 .
Pb3 Se2 Pb4 87.22(8) 1_545 .
Pb3 Se2 Pb4 87.22(8) . .
Pb1 Se2 Pb4 176.69(11) . .
Bi1 Se2 Se7 133.24(13) 3 1_545
Bi1 Se2 Se7 85.80(7) 3_545 1_545
Pb3 Se2 Se7 45.00(6) 1_545 1_545
Pb3 Se2 Se7 91.07(9) . 1_545
Pb1 Se2 Se7 135.25(9) . 1_545
Pb4 Se2 Se7 42.59(6) . 1_545
Bi1 Se2 Se7 85.80(7) 3 .
Bi1 Se2 Se7 133.24(13) 3_545 .
Pb3 Se2 Se7 91.07(9) 1_545 .
Pb3 Se2 Se7 45.00(6) . .
Pb1 Se2 Se7 135.25(9) . .
Pb4 Se2 Se7 42.59(6) . .
Se7 Se2 Se7 63.08(7) 1_545 .
Pb2 Se3 Pb2 91.60(10) . 1_545
Pb2 Se3 Bi2 89.69(3) . .
Pb2 Se3 Bi2 175.14(14) 1_545 .
Pb2 Se3 Bi2 175.14(14) . 1_545
Pb2 Se3 Bi2 89.69(3) 1_545 1_545
Bi2 Se3 Bi2 88.64(10) . 1_545
Pb2 Se3 Pb2 86.66(9) . 7_656
Pb2 Se3 Pb2 86.66(9) 1_545 7_656
Bi2 Se3 Pb2 88.74(9) . 7_656
Bi2 Se3 Pb2 88.74(9) 1_545 7_656
Pb2 Se3 Pb4 95.43(9) . .
Pb2 Se3 Pb4 95.43(9) 1_545 .
Bi2 Se3 Pb4 89.11(8) . .
Bi2 Se3 Pb4 89.11(8) 1_545 .
Pb2 Se3 Pb4 176.99(13) 7_656 .
Pb2 Se3 Se7 91.25(6) . .
Pb2 Se3 Se7 141.04(13) 1_545 .
Bi2 Se3 Se7 43.58(7) . .
Bi2 Se3 Se7 90.70(9) 1_545 .
Pb2 Se3 Se7 132.30(10) 7_656 .
Pb4 Se3 Se7 45.63(6) . .
Pb2 Se3 Se7 141.04(13) . 1_545
Pb2 Se3 Se7 91.25(6) 1_545 1_545
Bi2 Se3 Se7 90.70(9) . 1_545
Bi2 Se3 Se7 43.58(7) 1_545 1_545
Pb2 Se3 Se7 132.30(10) 7_656 1_545
Pb4 Se3 Se7 45.63(6) . 1_545
Se7 Se3 Se7 63.62(7) . 1_545
Bi1 Se4 Pb3 93.33(8) . .
Bi1 Se4 Pb3 93.33(8) . 1_545
Pb3 Se4 Pb3 92.18(10) . 1_545
Bi1 Se4 Pb4 108.91(9) . 3_455
Pb3 Se4 Pb4 89.82(4) . 3_455
Pb3 Se4 Pb4 157.52(11) 1_545 3_455
Bi1 Se4 Pb4 108.91(9) . 3_445
Pb3 Se4 Pb4 157.52(11) . 3_445
Pb3 Se4 Pb4 89.82(4) 1_545 3_445
Pb4 Se4 Pb4 80.10(8) 3_455 3_445
Bi1 Se4 Se5 158.83(13) . 3_445
Pb3 Se4 Se5 101.27(8) . 3_445
Pb3 Se4 Se5 101.27(8) 1_545 3_445
Pb4 Se4 Se5 56.45(6) 3_455 3_445
Pb4 Se4 Se5 56.45(6) 3_445 3_445
Bi1 Se4 Se7 89.51(10) . 3_445
Pb3 Se4 Se7 133.75(5) . 3_445
Pb3 Se4 Se7 133.75(5) 1_545 3_445
Pb4 Se4 Se7 46.31(5) 3_455 3_445
Pb4 Se4 Se7 46.31(5) 3_445 3_445
Se5 Se4 Se7 69.32(10) 3_445 3_445
Pb2 Se5 Bi2 94.61(8) . 3
Pb2 Se5 Bi2 94.61(8) . 3_545
Bi2 Se5 Bi2 93.38(10) 3 3_545
Pb2 Se5 Pb4 99.57(9) . 1_565
Bi2 Se5 Pb4 90.71(3) 3 1_565
Bi2 Se5 Pb4 164.88(11) 3_545 1_565
Pb2 Se5 Pb4 99.57(9) . .
Bi2 Se5 Pb4 164.88(11) 3 .
Bi2 Se5 Pb4 90.71(3) 3_545 .
Pb4 Se5 Pb4 81.81(8) 1_565 .
Pb2 Se5 Se4 148.21(14) . 3
Bi2 Se5 Se4 106.89(9) 3 3
Bi2 Se5 Se4 106.89(9) 3_545 3
Pb4 Se5 Se4 58.01(6) 1_565 3
Pb4 Se5 Se4 58.01(6) . 3
Pb2 Se5 Se3 47.21(6) . 1_565
Bi2 Se5 Se3 91.15(6) 3 1_565
Bi2 Se5 Se3 141.81(10) 3_545 1_565
Pb4 Se5 Se3 52.50(7) 1_565 1_565
Pb4 Se5 Se3 94.62(9) . 1_565
Se4 Se5 Se3 107.94(9) 3 1_565
Pb2 Se5 Se3 47.21(6) . .
Bi2 Se5 Se3 141.81(10) 3 .
Bi2 Se5 Se3 91.15(6) 3_545 .
Pb4 Se5 Se3 94.62(9) 1_565 .
Pb4 Se5 Se3 52.50(7) . .
Se4 Se5 Se3 107.94(9) 3 .
Se3 Se5 Se3 63.51(8) 1_565 .
Pb2 Se6 Pb2 180.0 5_666 1_445
Pb2 Se6 Pb2 89.15(4) 5_666 5_656
Pb2 Se6 Pb2 90.85(4) 1_445 5_656
Pb2 Se6 Pb2 90.85(4) 5_666 1_455
Pb2 Se6 Pb2 89.15(4) 1_445 1_455
Pb2 Se6 Pb2 180.00(4) 5_656 1_455
Pb2 Se6 Bi2 92.87(3) 5_666 3_445
Pb2 Se6 Bi2 87.13(3) 1_445 3_445
Pb2 Se6 Bi2 92.87(3) 5_656 3_445
Pb2 Se6 Bi2 87.13(3) 1_455 3_445
Pb2 Se6 Bi2 87.13(3) 5_666 7_556
Pb2 Se6 Bi2 92.87(3) 1_445 7_556
Pb2 Se6 Bi2 87.13(3) 5_656 7_556
Pb2 Se6 Bi2 92.87(3) 1_455 7_556
Bi2 Se6 Bi2 180.0 3_445 7_556
Bi2 Se7 Pb3 122.85(14) . .
Bi2 Se7 Pb4 102.62(9) . .
Pb3 Se7 Pb4 115.34(9) . .
Bi2 Se7 Pb4 102.62(9) . 1_565
Pb3 Se7 Pb4 115.34(9) . 1_565
Pb4 Se7 Pb4 93.34(11) . 1_565
Bi2 Se7 Se4 141.50(13) . 3
Pb3 Se7 Se4 95.65(10) . 3
Pb4 Se7 Se4 54.84(7) . 3
Pb4 Se7 Se4 54.84(7) 1_565 3
Bi2 Se7 Se3 48.92(7) . 1_565
Pb3 Se7 Se3 144.01(7) . 1_565
Pb4 Se7 Se3 100.17(10) . 1_565
Pb4 Se7 Se3 53.82(7) 1_565 1_565
Se4 Se7 Se3 100.30(10) 3 1_565
Bi2 Se7 Se3 48.92(7) . .
Pb3 Se7 Se3 144.01(7) . .
Pb4 Se7 Se3 53.82(7) . .
Pb4 Se7 Se3 100.17(10) 1_565 .
Se4 Se7 Se3 100.30(10) 3 .
Se3 Se7 Se3 63.62(7) 1_565 .
Bi2 Se7 Se2 144.25(7) . .
Pb3 Se7 Se2 48.78(7) . .
Pb4 Se7 Se2 67.14(7) . .
Pb4 Se7 Se2 111.88(11) 1_565 .
Se4 Se7 Se2 61.77(8) 3 .
Se3 Se7 Se2 161.68(13) 1_565 .
Se3 Se7 Se2 113.45(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 Se4 2.796(3) .
Bi1 Se2 2.928(3) 3_445
Bi1 Se2 2.928(3) 3_455
Bi1 Se1 3.009(3) .
Bi1 Se1 3.009(3) 1_545
Bi1 Se1 3.176(3) 7
Bi2 Se7 2.779(4) .
Bi2 Se5 2.917(3) 3_445
Bi2 Se5 2.917(3) 3_455
Bi2 Se3 3.038(3) .
Bi2 Se3 3.038(3) 1_565
Bi2 Se6 3.0895(13) 3
Pb1 Se1 3.017(2) 5_665
Pb1 Se1 3.017(2) 1_545
Pb1 Se1 3.017(2) 5_655
Pb1 Se1 3.017(2) .
Pb1 Se2 3.082(4) 5_655
Pb1 Se2 3.082(4) .
Pb2 Se5 2.816(4) .
Pb2 Se3 2.961(3) 1_565
Pb2 Se3 2.961(3) .
Pb2 Se6 3.0246(10) 1_665
Pb2 Se6 3.0246(10) 1_655
Pb2 Se3 3.293(4) 7_656
Pb3 Se7 2.876(3) .
Pb3 Se4 2.946(2) .
Pb3 Se4 2.946(2) 1_565
Pb3 Se2 3.059(3) .
Pb3 Se2 3.059(3) 1_565
Pb3 Se1 3.090(3) .
Pb4 Se7 2.918(3) 1_545
Pb4 Se7 2.918(3) .
Pb4 Se5 3.242(3) 1_545
Pb4 Se5 3.242(3) .
Pb4 Se3 3.295(4) .
Pb4 Se4 3.299(3) 3_545
Pb4 Se4 3.299(3) 3
Pb4 Se2 3.973(4) .
Se1 Bi1 3.009(3) 1_565
Se1 Pb1 3.017(2) 1_565
Se1 Bi1 3.176(3) 7
Se2 Bi1 2.928(3) 3
Se2 Bi1 2.928(3) 3_545
Se2 Pb3 3.059(3) 1_545
Se2 Se7 4.058(4) 1_545
Se2 Se7 4.058(4) .
Se3 Pb2 2.961(3) 1_545
Se3 Bi2 3.038(3) 1_545
Se3 Pb2 3.292(4) 7_656
Se3 Se7 4.027(4) .
Se3 Se7 4.027(4) 1_545
Se4 Pb3 2.946(2) 1_545
Se4 Pb4 3.299(3) 3_455
Se4 Pb4 3.299(3) 3_445
Se4 Se5 3.540(4) 3_445
Se4 Se7 3.959(5) 3_445
Se5 Bi2 2.917(3) 3
Se5 Bi2 2.917(3) 3_545
Se5 Pb4 3.242(3) 1_565
Se5 Se4 3.540(4) 3
Se5 Se3 4.033(4) 1_565
Se6 Pb2 3.0246(10) 5_666
Se6 Pb2 3.0246(10) 1_445
Se6 Pb2 3.0246(10) 5_656
Se6 Pb2 3.0246(10) 1_455
Se6 Bi2 3.0895(13) 3_445
Se6 Bi2 3.0895(13) 7_556
Se7 Pb4 2.918(3) 1_565
Se7 Se4 3.959(5) 3
Se7 Se3 4.027(4) 1_565
