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#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107163.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_2107163
loop_
_publ_author_name
'Leclerc, B.'
'Bailly, M.'
_publ_section_title
;
 Structure cristalline du sulfure de thallium: Tl4 S3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2334
_journal_page_last               2334
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'S3 Tl4'
_chemical_name_systematic        'Tl4 S3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.972
_cell_length_b                   13.03
_cell_length_c                   7.757
_cell_volume                     781.859
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Leclerc_ACBCAR_1973_1789.cif
_cod_data_source_block           S3Tl4
_cod_original_cell_volume        781.8591
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               2107163
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-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 0.53 0.045 0.784 1 0.0
Tl3 Tl 0.2926 0.4426 0.1155 1 0.0
Tl2 Tl 0.4121 0.1866 0.1274 1 0.0
S2 S 0.231 0.254 0.46 1 0.0
Tl4 Tl 0.7142 0.5 0.4433 1 0.0
S1 S 0.06 0.143 0.917 1 0.0
Tl1 Tl 0.532 0.2309 0.665 1 0.0
