#------------------------------------------------------------------------------
#$Date: 2015-09-08 21:45:42 +0200 (mar 08 de sep de 2015) $
#$Revision: 155334 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/67/2106701.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_2106701
loop_
_publ_author_name
'Leclerc, B.'
'Kabre, T.S.'
_publ_section_title
;
 Structure cristalline du sulfure de thallium Tl2 S5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1675
_journal_page_last               1677
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'S5 Tl2'
_chemical_name_systematic        'Tl2 S5'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.66
_cell_length_b                   16.7
_cell_length_c                   6.538
_cell_volume                     727.169
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Leclerc_ACBCAR_1975_37.cif
_cod_data_source_block           S5Tl2
_cod_original_cell_volume        727.1695
_cod_database_code               2106701
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-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
Tl2 Tl+1 0.7768 0.653 0.0703 1 0.0
S3 S 0.383 0.298 0.062 1 0.0
Tl1 Tl+1 0.4082 0.5249 0.344 1 0.0
S4 S 0.167 0.347 0.247 1 0.0
S2 S 0.645 0.374 0.065 1 0.0
S5 S-1 0.257 0.332 0.55 1 0.0
S1 S-1 0.568 0.48 0.924 1 0.0
