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#$Date: 2013-04-29 21:37:16 +0300 (Mon, 29 Apr 2013) $
#$Revision: 82506 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/95/1509539.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_1509539
loop_
_publ_author_name
'Klepp, K.O.'
_publ_section_title
;
 Thallium silver chalcogenides of the ordered anti-Pb Cl2 - structure type
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              1433
_journal_page_last               1436
_journal_volume                  111
_journal_year                    1980
_chemical_formula_sum            'Ag Se Tl'
_chemical_name_systematic        'Tl Ag Se'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4756
_cell_length_b                   4.6375
_cell_length_c                   8.69
_cell_volume                     301.266
_citation_journal_id_ASTM        MOCMB7
_[local]_cod_data_source_file    silver1-2_534.cif
_[local]_cod_data_source_block   Ag1Se1Tl1
_[local]_cod_chemical_formula_sum_orig 'Ag1 Se1 Tl1'
_cod_original_cell_volume        301.2657
_cod_database_code               1509539
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Se1 Se-2 0.3179 0.25 0.1048 1 0.0
Ag1 Ag+1 0.6706 0.25 0.0822 1 0.0
Tl1 Tl+1 0.5005 0.25 0.6772 1 0.0