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#$Date: 2015-10-11 16:05:50 +0300 (Sun, 11 Oct 2015) $
#$Revision: 165699 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/74/1537499.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_1537499
loop_
_publ_author_name
'Kabre, S.'
'Julien-Pouzol, M.'
'Guittard, M.'
_publ_section_title
;
 Etude cristallographique des combinaisons ternaires formees par le
 thallium, les terres rares et le souffre, le selenium ou le tellure, le
 long des binaires Tl2 X - L2 X3
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              1881
_journal_page_last               1884
_journal_volume                  1974
_journal_year                    1974
_chemical_formula_sum            'Er S2 Tl'
_chemical_name_systematic        'Tl Er S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.96
_cell_length_b                   3.96
_cell_length_c                   22.47
_cell_volume                     305.158
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Kabre_BSCFAS_1974_1240.cif
_cod_data_source_block           Er1S2Tl1
_cod_original_cell_volume        305.1575
_cod_chemical_formula_sum_orig   'Er1 S2 Tl1'
_cod_database_code               1537499
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Er1 Er+3 0 0 0 1 0.0
S1 S-2 0 0 0.264 1 0.0
Tl1 Tl+1 0 0 0.5 1 0.0