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#$Date: 2015-10-20 19:49:15 +0300 (Tue, 20 Oct 2015) $
#$Revision: 169383 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107251.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107251
loop_
_publ_author_name
'Julien-Pouzol, M.'
'Jaulmes, S.'
'Laruelle, P.'
_publ_section_title
;
 Structure cristalline du sulfure de bismuth et thallium Tl4 Bi2 S5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1313
_journal_page_last               1315
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Bi2 S5 Tl4'
_chemical_name_systematic        'Bi2 Tl4 S5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.76
_cell_length_b                   4.09
_cell_length_c                   17.396
_cell_volume                     1192.468
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Julien-Pouzol_ACBCAR_1979_328.cif
_cod_data_source_block           Bi2S5Tl4
_cod_database_code               2107251
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
S2 S 0.316 0.25 0.77 1 0.0
Bi1 Bi 0.0589 0.25 0.9109 1 0.0
Tl2 Tl 0.3152 0.25 0.2309 1 0.0
Bi2 Bi 0.0715 0.25 0.2591 1 0.0
S4 S 0.334 0.25 0.401 1 0.0
S5 S 0.07 0.25 0.084 1 0.0
S3 S 0.047 0.25 0.409 1 0.0
Tl4 Tl 0.3044 0.25 0.5814 1 0.0
S1 S 0.049 0.25 0.757 1 0.0
Tl3 Tl 0.0753 0.25 0.5827 1 0.0
Tl1 Tl 0.3147 0.25 0.9348 1 0.0
