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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/84/1538457.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_1538457
loop_
_publ_author_name
'Pannetier, G.'
'Gaultier, M.'
_publ_section_title
;
 Structure cristalline de la forme 'basse temperature' du sulfate de
 thallium (I). Tl2 S O4 (I) beta
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              3336
_journal_page_last               3341
_journal_volume                  1966
_journal_year                    1966
_chemical_formula_sum            'O4 S Tl2'
_chemical_name_systematic        'Tl2 (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.821
_cell_length_b                   10.63
_cell_length_c                   5.934
_cell_volume                     493.336
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Pannetier_BSCFAS_1966_1880.cif
_cod_data_source_block           O4S1Tl2
_cod_original_cell_volume        493.3363
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'O4 S1 Tl2'
_cod_database_code               1538457
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
S1 S+6 0.2405 0.4155 0.25 1 0.0
Tl2 Tl+1 -0.0089 0.6938 0.25 1 0.0
O2 O-2 0.3298 0.5488 0.25 1 0.0
Tl1 Tl+1 0.1756 0.0868 0.25 1 0.0
O3 O-2 0.3027 0.3383 0.044 1 0.0
O1 O-2 0.0559 0.4186 0.25 1 0.0