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#$Date: 2016-01-01 14:10:21 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172233 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/43/8104326.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_8104326
loop_
_publ_author_name
'Takeuchi, Y.'
'Takagi, J.'
'Yamanaka, T.'
_publ_section_title
;
 The crystal structure of PbS (Bi2 S3)2
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (145,1977-148,1979)
;
_journal_page_first              249
_journal_page_last               272
_journal_volume                  140
_journal_year                    1974
_chemical_formula_sum            'Bi8 Pb2 S16'
_chemical_name_systematic        'Pb2 (Bi8 S16)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 131.04
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.247
_cell_length_b                   4.03
_cell_length_c                   15.421
_cell_volume                     620.942
_citation_journal_id_ASTM        ZKKKAJ
_cod_data_source_file            Takeuchi_ZKKKAJ_1974_1277.cif
_cod_data_source_block           Bi8Pb2S16
_cod_original_cell_volume        620.9423
_cod_database_code               8104326
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-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_occupancy
_atom_site_U_iso_or_equiv
S3 S 0.1233 0 0.8593 1 0.0
Bi1 Bi 0 0.5 0.5 0.8 0.0
Pb2 Pb 0.3586 0 0.6773 0.2 0.0
Bi3 Bi 0.8105 0 0.9322 0.8 0.0
Bi2 Bi 0.3586 0 0.6773 0.8 0.0
S2 S 0.7541 0 0.7182 1 0.0
Pb1 Pb 0 0.5 0.5 0.2 0.0
S4 S 0.8917 0 0.5468 1 0.0
Pb3 Pb 0.8105 0 0.9322 0.2 0.0
S1 S 0.496 0 0.976 1 0.0
