#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/15/1521540.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_1521540
loop_
_publ_author_name
'Lukaszewicz, K.'
'Stepen'-Damm, Yu.'
'Grigas, J.'
'Pietraszko, A.'
'Kajokas, A.'
_publ_section_title
;
 Crystal structure, thermal expansion, dielectric permittivity and phase
 transitions of Bi2 S3
;
_journal_name_full               'Polish Journal of Chemistry'
_journal_page_first              541
_journal_page_last               546
_journal_volume                  73
_journal_year                    1999
_chemical_formula_sum            'Bi2 S3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.17
_cell_length_b                   11.319
_cell_length_c                   3.992
_cell_volume                     504.721
_citation_journal_id_ASTM        PJCHDQ
_cod_data_source_file            Lukaszewicz_PJCHDQ_1999_676.cif
_cod_data_source_block           Bi2S3
_cod_original_cell_volume        504.7215
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1521540
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
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
Bi2 Bi+3 0.46549 0.34019 0.25 1 0.0
Bi1 Bi+3 0.17441 0.48383 0.75 1 0.0
S2 S-2 0.3062 0.2841 0.75 1 0.0
S1 S-2 0.0578 0.3767 0.25 1 0.0
S3 S-2 0.371 0.549 0.25 1 0.0
