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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/95/1509556.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_1509556
loop_
_publ_author_name
'Brun, G.'
'Philippot, E.'
'Maurin, M.'
'Tedenac, J.C.'
'Gardes, B.'
_publ_section_title
;
 The crystal structure of Ag Tl X phases (X= S, Se, Te)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              429
_journal_page_last               433
_journal_paper_doi               10.1016/0022-4596(80)90167-X
_journal_volume                  33
_journal_year                    1980
_chemical_formula_sum            'Ag Te Tl'
_chemical_name_systematic        'Ag Tl Te'
_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                   8.775
_cell_length_b                   7.763
_cell_length_c                   4.867
_cell_volume                     331.542
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            silver1-2_552.cif
_cod_data_source_block           Ag1Te1Tl1
_cod_original_cell_volume        331.5416
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Ag1 Te1 Tl1'
_cod_database_code               1509556
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
Ag1 Ag+1 0.8389 0.4236 0.25 1 0.0
Tl1 Tl+1 0.5106 0.6742 0.25 1 0.0
Te1 Te-2 0.1867 0.3925 0.25 1 0.0
