#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:39:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179510 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/07/4340717.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_4340717
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                 98.31(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.991(3)
_cell_length_b                   4.2619(9)
_cell_length_c                   23.432(5)
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.5
_cell_volume                     1382.5(5)
_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      300(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  0.0699
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            21600
_diffrn_reflns_theta_full        31.84
_diffrn_reflns_theta_max         31.84
_diffrn_reflns_theta_min         4.90
_exptl_absorpt_coefficient_mu    84.905
_exptl_absorpt_correction_T_max  0.40
_exptl_absorpt_correction_T_min  0.03
_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    7.958
_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         4.433
_refine_diff_density_min         -2.849
_refine_diff_density_rms         0.452
_refine_ls_extinction_coef       0.00031(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_matrix_type           full
_refine_ls_number_parameters     76
_refine_ls_number_reflns         2640
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0291
_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)+(0.0530P)²+94.1709P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0734
_reflns_number_gt                2639
_reflns_number_total             2640
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501327u_si_002.cif
_cod_data_source_block           Pb7Bi4Se13-300K
_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_cell_volume        1382.6(5)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4340717
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 0.24960(18) 0.0000 0.08572(10) 0.0225(5) Uani 1 2 d S
Bi2 Bi 0.55965(18) 0.5000 0.37745(10) 0.0263(5) Uani 1 2 d S
Pb1 Pb 0.5000 0.0000 0.0000 0.0268(7) Uani 1 4 d S
Pb2 Pb 0.85236(18) 0.5000 0.45627(10) 0.0221(5) Uani 1 2 d S
Pb3 Pb 0.49339(17) 0.5000 0.16274(9) 0.0259(5) Uani 1 2 d S
Pb4 Pb 0.7672(2) 0.0000 0.27777(15) 0.0475(8) Uani 1 2 d S
Se1 Se 0.3712(4) 0.5000 0.0406(2) 0.0174(10) Uani 1 2 d S
Se2 Se 0.6250(5) 0.0000 0.1214(3) 0.0297(14) Uani 1 2 d S
Se3 Se 0.7114(5) 0.0000 0.4135(3) 0.0244(11) Uani 1 2 d S
Se4 Se 0.3648(4) 0.0000 0.1947(2) 0.0221(12) Uani 1 2 d S
Se5 Se 0.9178(4) 0.5000 0.3476(2) 0.0209(11) Uani 1 2 d S
Se6 Se 0.0000 0.0000 0.5000 0.0216(18) Uani 1 4 d S
Se7 Se 0.6220(5) 0.5000 0.2696(2) 0.0241(13) 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 91.55(18) . 3_445
Se4 Bi1 Se2 91.55(18) . 3_455
Se2 Bi1 Se2 92.51(19) 3_445 3_455
Se4 Bi1 Se1 92.30(14) . 1_545
Se2 Bi1 Se1 88.59(11) 3_445 1_545
Se2 Bi1 Se1 176.0(2) 3_455 1_545
Se4 Bi1 Se1 92.30(14) . .
Se2 Bi1 Se1 176.0(2) 3_445 .
Se2 Bi1 Se1 88.59(12) 3_455 .
Se1 Bi1 Se1 90.06(16) 1_545 .
Se4 Bi1 Se1 177.1(2) . 7
Se2 Bi1 Se1 90.44(17) 3_445 7
Se2 Bi1 Se1 90.44(17) 3_455 7
Se1 Bi1 Se1 85.67(14) 1_545 7
Se1 Bi1 Se1 85.67(14) . 7
Se7 Bi2 Se5 94.23(16) . 3_445
Se7 Bi2 Se5 94.23(16) . 3_455
Se5 Bi2 Se5 93.45(18) 3_445 3_455
Se7 Bi2 Se3 87.38(18) . 1_565
Se5 Bi2 Se3 177.17(17) 3_445 1_565
Se5 Bi2 Se3 88.75(13) 3_455 1_565
Se7 Bi2 Se3 87.38(18) . .
Se5 Bi2 Se3 88.75(13) 3_445 .
Se5 Bi2 Se3 177.17(17) 3_455 .
Se3 Bi2 Se3 89.00(19) 1_565 .
Se7 Bi2 Se6 177.40(18) . 3
Se5 Bi2 Se6 87.54(12) 3_445 3
Se5 Bi2 Se6 87.54(12) 3_455 3
Se3 Bi2 Se6 90.77(15) 1_565 3
Se3 Bi2 Se6 90.76(15) . 3
Se1 Pb1 Se1 90.67(15) . 5_665
Se1 Pb1 Se1 89.33(15) . 1_545
Se1 Pb1 Se1 180.0(2) 5_665 1_545
Se1 Pb1 Se1 180.0 . 5_655
Se1 Pb1 Se1 89.33(15) 5_665 5_655
Se1 Pb1 Se1 90.67(15) 1_545 5_655
Se1 Pb1 Se2 90.33(13) . 5_655
Se1 Pb1 Se2 89.67(13) 5_665 5_655
Se1 Pb1 Se2 90.33(13) 1_545 5_655
Se1 Pb1 Se2 89.67(13) 5_655 5_655
Se1 Pb1 Se2 89.67(13) . .
Se1 Pb1 Se2 90.33(13) 5_665 .
Se1 Pb1 Se2 89.67(13) 1_545 .
Se1 Pb1 Se2 90.33(13) 5_655 .
Se2 Pb1 Se2 180.0 5_655 .
Se5 Pb2 Se3 88.96(17) . .
Se5 Pb2 Se3 88.96(17) . 1_565
Se3 Pb2 Se3 91.40(19) . 1_565
Se5 Pb2 Se6 90.62(11) . 1_665
Se3 Pb2 Se6 178.71(11) . 1_665
Se3 Pb2 Se6 89.80(10) 1_565 1_665
Se5 Pb2 Se6 90.62(11) . 1_655
Se3 Pb2 Se6 89.80(9) . 1_655
Se3 Pb2 Se6 178.71(11) 1_565 1_655
Se6 Pb2 Se6 88.98(7) 1_665 1_655
Se5 Pb2 Se3 176.8(2) . 7_656
Se3 Pb2 Se3 93.26(17) . 7_656
Se3 Pb2 Se3 93.26(17) 1_565 7_656
Se6 Pb2 Se3 87.11(10) 1_665 7_656
Se6 Pb2 Se3 87.11(10) 1_655 7_656
Se7 Pb3 Se4 96.12(15) . 1_565
Se7 Pb3 Se4 96.12(15) . .
Se4 Pb3 Se4 92.33(18) 1_565 .
Se7 Pb3 Se2 86.90(17) . .
Se4 Pb3 Se2 176.18(17) 1_565 .
Se4 Pb3 Se2 89.67(12) . .
Se7 Pb3 Se2 86.90(17) . 1_565
Se4 Pb3 Se2 89.67(12) 1_565 1_565
Se4 Pb3 Se2 176.18(17) . 1_565
Se2 Pb3 Se2 88.15(17) . 1_565
Se7 Pb3 Se1 174.5(2) . .
Se4 Pb3 Se1 87.69(13) 1_565 .
Se4 Pb3 Se1 87.69(13) . .
Se2 Pb3 Se1 89.14(16) . .
Se2 Pb3 Se1 89.14(16) 1_565 .
Se7 Pb4 Se7 93.2(2) 1_545 .
Se7 Pb4 Se5 87.08(14) 1_545 1_545
Se7 Pb4 Se5 153.88(18) . 1_545
Se7 Pb4 Se5 153.88(18) 1_545 .
Se7 Pb4 Se5 87.08(14) . .
Se5 Pb4 Se5 81.48(16) 1_545 .
Se7 Pb4 Se4 80.49(14) 1_545 3_545
Se7 Pb4 Se4 140.41(18) . 3_545
Se5 Pb4 Se4 65.39(13) 1_545 3_545
Se5 Pb4 Se4 115.07(16) . 3_545
Se7 Pb4 Se4 140.40(18) 1_545 3
Se7 Pb4 Se4 80.50(14) . 3
Se5 Pb4 Se4 115.07(16) 1_545 3
Se5 Pb4 Se4 65.39(13) . 3
Se4 Pb4 Se4 80.13(14) 3_545 3
Se7 Pb4 Se3 78.99(15) 1_545 .
Se7 Pb4 Se3 78.99(15) . .
Se5 Pb4 Se3 75.44(15) 1_545 .
Se5 Pb4 Se3 75.44(15) . .
Se4 Pb4 Se3 136.35(9) 3_545 .
Se4 Pb4 Se3 136.35(9) 3 .
Se7 Pb4 Se2 71.63(13) 1_545 .
Se7 Pb4 Se2 71.63(13) . .
Se5 Pb4 Se2 132.39(11) 1_545 .
Se5 Pb4 Se2 132.39(11) . .
Se4 Pb4 Se2 69.29(13) 3_545 .
Se4 Pb4 Se2 69.29(13) 3 .
Se3 Pb4 Se2 136.53(17) . .
Bi1 Se1 Bi1 90.06(16) 1_565 .
Bi1 Se1 Pb1 90.25(4) 1_565 1_565
Bi1 Se1 Pb1 177.4(2) . 1_565
Bi1 Se1 Pb1 177.4(2) 1_565 .
Bi1 Se1 Pb1 90.25(4) . .
Pb1 Se1 Pb1 89.33(15) 1_565 .
Bi1 Se1 Pb3 86.58(14) 1_565 .
Bi1 Se1 Pb3 86.58(14) . .
Pb1 Se1 Pb3 90.91(14) 1_565 .
Pb1 Se1 Pb3 90.91(14) . .
Bi1 Se1 Bi1 94.33(14) 1_565 7
Bi1 Se1 Bi1 94.33(14) . 7
Pb1 Se1 Bi1 88.18(13) 1_565 7
Pb1 Se1 Bi1 88.18(13) . 7
Pb3 Se1 Bi1 178.7(2) . 7
Bi1 Se2 Bi1 92.51(19) 3 3_545
Bi1 Se2 Pb3 177.5(2) 3 1_545
Bi1 Se2 Pb3 89.66(5) 3_545 1_545
Bi1 Se2 Pb3 89.66(5) 3 .
Bi1 Se2 Pb3 177.5(2) 3_545 .
Pb3 Se2 Pb3 88.15(17) 1_545 .
Bi1 Se2 Pb1 91.01(17) 3 .
Bi1 Se2 Pb1 91.01(17) 3_545 .
Pb3 Se2 Pb1 90.27(17) 1_545 .
Pb3 Se2 Pb1 90.27(17) . .
Bi1 Se2 Pb4 91.39(17) 3 .
Bi1 Se2 Pb4 91.39(17) 3_545 .
Pb3 Se2 Pb4 87.24(15) 1_545 .
Pb3 Se2 Pb4 87.24(15) . .
Pb1 Se2 Pb4 176.5(2) . .
Bi1 Se2 Se7 134.3(3) 3 1_545
Bi1 Se2 Se7 86.76(13) 3_545 1_545
Pb3 Se2 Se7 44.53(12) 1_545 1_545
Pb3 Se2 Se7 90.79(16) . 1_545
Pb1 Se2 Se7 134.70(17) . 1_545
Pb4 Se2 Se7 43.00(11) . 1_545
Bi1 Se2 Se7 86.76(13) 3 .
Bi1 Se2 Se7 134.3(3) 3_545 .
Pb3 Se2 Se7 90.79(16) 1_545 .
Pb3 Se2 Se7 44.53(12) . .
Pb1 Se2 Se7 134.70(17) . .
Pb4 Se2 Se7 43.00(11) . .
Se7 Se2 Se7 62.97(13) 1_545 .
Pb2 Se3 Pb2 91.40(19) . 1_545
Pb2 Se3 Bi2 89.65(6) . .
Pb2 Se3 Bi2 175.7(3) 1_545 .
Pb2 Se3 Bi2 175.7(3) . 1_545
Pb2 Se3 Bi2 89.65(6) 1_545 1_545
Bi2 Se3 Bi2 89.00(19) . 1_545
Pb2 Se3 Pb2 86.74(17) . 7_656
Pb2 Se3 Pb2 86.74(17) 1_545 7_656
Bi2 Se3 Pb2 89.18(16) . 7_656
Bi2 Se3 Pb2 89.18(16) 1_545 7_656
Pb2 Se3 Pb4 94.86(16) . .
Pb2 Se3 Pb4 94.86(16) 1_545 .
Bi2 Se3 Pb4 89.19(18) . .
Bi2 Se3 Pb4 89.19(18) 1_545 .
Pb2 Se3 Pb4 177.7(2) 7_656 .
Pb2 Se3 Se7 90.78(11) . .
Pb2 Se3 Se7 140.4(2) 1_545 .
Bi2 Se3 Se7 43.73(12) . .
Bi2 Se3 Se7 91.06(19) 1_545 .
Pb2 Se3 Se7 132.88(17) 7_656 .
Pb4 Se3 Se7 45.56(11) . .
Pb2 Se3 Se7 140.4(2) . 1_545
Pb2 Se3 Se7 90.78(11) 1_545 1_545
Bi2 Se3 Se7 91.06(19) . 1_545
Bi2 Se3 Se7 43.73(12) 1_545 1_545
Pb2 Se3 Se7 132.88(17) 7_656 1_545
Pb4 Se3 Se7 45.56(11) . 1_545
Se7 Se3 Se7 63.83(14) . 1_545
Bi1 Se4 Pb3 93.41(14) . .
Bi1 Se4 Pb3 93.41(14) . 1_545
Pb3 Se4 Pb3 92.33(17) . 1_545
Bi1 Se4 Pb4 107.60(16) . 3_455
Pb3 Se4 Pb4 90.16(7) . 3_455
Pb3 Se4 Pb4 158.7(2) 1_545 3_455
Bi1 Se4 Pb4 107.60(16) . 3_445
Pb3 Se4 Pb4 158.7(2) . 3_445
Pb3 Se4 Pb4 90.16(7) 1_545 3_445
Pb4 Se4 Pb4 80.14(14) 3_455 3_445
Bi1 Se4 Se5 157.4(2) . 3_445
Pb3 Se4 Se5 102.13(15) . 3_445
Pb3 Se4 Se5 102.13(15) 1_545 3_445
Pb4 Se4 Se5 56.69(12) 3_455 3_445
Pb4 Se4 Se5 56.69(12) 3_445 3_445
Bi1 Se4 Se7 89.25(18) . 3_445
Pb3 Se4 Se7 133.69(9) . 3_445
Pb3 Se4 Se7 133.69(9) 1_545 3_445
Pb4 Se4 Se7 45.65(9) 3_455 3_445
Pb4 Se4 Se7 45.65(9) 3_445 3_445
Se5 Se4 Se7 68.16(17) 3_445 3_445
Pb2 Se5 Bi2 94.69(15) . 3
Pb2 Se5 Bi2 94.69(15) . 3_545
Bi2 Se5 Bi2 93.45(18) 3 3_545
Pb2 Se5 Pb4 100.49(16) . .
Bi2 Se5 Pb4 163.9(2) 3 .
Bi2 Se5 Pb4 90.60(7) 3_545 .
Pb2 Se5 Pb4 100.49(16) . 1_565
Bi2 Se5 Pb4 90.60(7) 3 1_565
Bi2 Se5 Pb4 163.9(2) 3_545 1_565
Pb4 Se5 Pb4 81.48(16) . 1_565
Pb2 Se5 Se4 149.4(2) . 3
Bi2 Se5 Se4 106.03(15) 3 3
Bi2 Se5 Se4 106.03(15) 3_545 3
Pb4 Se5 Se4 57.92(12) . 3
Pb4 Se5 Se4 57.92(12) 1_565 3
Pb2 Se5 Se3 47.03(11) . 1_565
Bi2 Se5 Se3 91.27(10) 3 1_565
Bi2 Se5 Se3 141.71(19) 3_545 1_565
Pb4 Se5 Se3 95.17(17) . 1_565
Pb4 Se5 Se3 53.59(13) 1_565 1_565
Se4 Se5 Se3 109.06(19) 3 1_565
Pb2 Se5 Se3 47.03(11) . .
Bi2 Se5 Se3 141.71(19) 3 .
Bi2 Se5 Se3 91.27(10) 3_545 .
Pb4 Se5 Se3 53.59(13) . .
Pb4 Se5 Se3 95.17(17) 1_565 .
Se4 Se5 Se3 109.06(19) 3 .
Se3 Se5 Se3 63.18(13) 1_565 .
Pb2 Se6 Pb2 180.0 5_666 1_445
Pb2 Se6 Pb2 88.98(7) 5_666 5_656
Pb2 Se6 Pb2 91.02(7) 1_445 5_656
Pb2 Se6 Pb2 91.02(7) 5_666 1_455
Pb2 Se6 Pb2 88.98(7) 1_445 1_455
Pb2 Se6 Pb2 180.00(8) 5_656 1_455
Pb2 Se6 Bi2 92.95(6) 5_666 3_445
Pb2 Se6 Bi2 87.05(6) 1_445 3_445
Pb2 Se6 Bi2 92.95(6) 5_656 3_445
Pb2 Se6 Bi2 87.05(6) 1_455 3_445
Pb2 Se6 Bi2 87.05(6) 5_666 7_556
Pb2 Se6 Bi2 92.95(6) 1_445 7_556
Pb2 Se6 Bi2 87.05(6) 5_656 7_556
Pb2 Se6 Bi2 92.95(6) 1_455 7_556
Bi2 Se6 Bi2 180.0 3_445 7_556
Bi2 Se7 Pb3 123.6(3) . .
Bi2 Se7 Pb4 104.22(16) . .
Pb3 Se7 Pb4 113.49(15) . .
Bi2 Se7 Pb4 104.23(16) . 1_565
Pb3 Se7 Pb4 113.49(15) . 1_565
Pb4 Se7 Pb4 93.2(2) . 1_565
Bi2 Se7 Se3 48.89(12) . 1_565
Pb3 Se7 Se3 144.18(13) . 1_565
Pb4 Se7 Se3 101.62(19) . 1_565
Pb4 Se7 Se3 55.46(13) 1_565 1_565
Bi2 Se7 Se3 48.89(12) . .
Pb3 Se7 Se3 144.18(13) . .
Pb4 Se7 Se3 55.46(13) . .
Pb4 Se7 Se3 101.62(19) 1_565 .
Se3 Se7 Se3 63.83(14) 1_565 .
Bi2 Se7 Se4 141.8(2) . 3
Pb3 Se7 Se4 94.67(17) . 3
Pb4 Se7 Se4 53.85(12) . 3
Pb4 Se7 Se4 53.85(12) 1_565 3
Se3 Se7 Se4 100.62(18) 1_565 3
Se3 Se7 Se4 100.62(18) . 3
Bi2 Se7 Se2 144.49(13) . .
Pb3 Se7 Se2 48.57(12) . .
Pb4 Se7 Se2 65.37(13) . .
Pb4 Se7 Se2 110.03(19) 1_565 .
Se3 Se7 Se2 161.4(2) 1_565 .
Se3 Se7 Se2 113.30(10) . .
Se4 Se7 Se2 61.17(13) 3 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 Se4 2.817(6) .
Bi1 Se2 2.950(5) 3_445
Bi1 Se2 2.950(5) 3_455
Bi1 Se1 3.012(4) 1_545
Bi1 Se1 3.012(4) .
Bi1 Se1 3.189(6) 7
Bi2 Se7 2.789(6) .
Bi2 Se5 2.927(4) 3_445
Bi2 Se5 2.927(4) 3_455
Bi2 Se3 3.040(5) 1_565
Bi2 Se3 3.040(5) .
Bi2 Se6 3.104(2) 3
Pb1 Se1 3.031(4) .
Pb1 Se1 3.031(4) 5_665
Pb1 Se1 3.031(4) 1_545
Pb1 Se1 3.032(4) 5_655
Pb1 Se2 3.117(7) 5_655
Pb1 Se2 3.117(7) .
Pb2 Se5 2.827(6) .
Pb2 Se3 2.977(5) .
Pb2 Se3 2.977(5) 1_565
Pb2 Se6 3.0407(19) 1_665
Pb2 Se6 3.0407(19) 1_655
Pb2 Se3 3.301(7) 7_656
Pb3 Se7 2.865(7) .
Pb3 Se4 2.954(4) 1_565
Pb3 Se4 2.954(4) .
Pb3 Se2 3.063(5) .
Pb3 Se2 3.063(5) 1_565
Pb3 Se1 3.115(6) .
Pb4 Se7 2.932(5) 1_545
Pb4 Se7 2.932(5) .
Pb4 Se5 3.265(5) 1_545
Pb4 Se5 3.265(5) .
Pb4 Se4 3.311(5) 3_545
Pb4 Se4 3.311(5) 3
Pb4 Se3 3.383(8) .
Pb4 Se2 3.908(8) .
Se1 Bi1 3.012(4) 1_565
Se1 Pb1 3.031(4) 1_565
Se1 Bi1 3.189(6) 7
Se2 Bi1 2.950(5) 3
Se2 Bi1 2.950(5) 3_545
Se2 Pb3 3.063(5) 1_545
Se2 Se7 4.080(7) 1_545
Se2 Se7 4.080(7) .
Se3 Pb2 2.977(5) 1_545
Se3 Bi2 3.040(5) 1_545
Se3 Pb2 3.301(7) 7_656
Se3 Se7 4.031(8) .
Se3 Se7 4.031(8) 1_545
Se4 Pb3 2.954(4) 1_545
Se4 Pb4 3.310(5) 3_455
Se4 Pb4 3.310(5) 3_445
Se4 Se5 3.552(8) 3_445
Se4 Se7 4.043(9) 3_445
Se5 Bi2 2.927(4) 3
Se5 Bi2 2.927(4) 3_545
Se5 Pb4 3.265(5) 1_565
Se5 Se4 3.552(8) 3
Se5 Se3 4.068(7) 1_565
Se6 Pb2 3.0407(19) 5_666
Se6 Pb2 3.0407(19) 1_445
Se6 Pb2 3.0407(19) 5_656
Se6 Pb2 3.0407(19) 1_455
Se6 Bi2 3.104(2) 3_445
Se6 Bi2 3.104(2) 7_556
Se7 Pb4 2.932(5) 1_565
Se7 Se3 4.031(8) 1_565
Se7 Se4 4.043(9) 3
