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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/50/93/1509352.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_1509352
loop_
_publ_author_name
'Bodnar', I.V.'
'Orlova, N.S.'
_publ_section_title
;
 X-ray evidence on thermal-expansion anisotropy in Ag Ga Se2 at 80-650 K
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              758
_journal_page_last               761
_journal_volume                  23
_journal_year                    1987
_chemical_formula_sum            'Ag Ga Se2'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9921
_cell_length_b                   5.9921
_cell_length_c                   10.883
_cell_volume                     390.757
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            silver1-2_274.cif
_cod_data_source_block           Ag1Ga1Se2
_cod_original_formula_sum        'Ag1 Ga1 Se2'
_cod_database_code               1509352
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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 0 0 1 0.0
Ga1 Ga+3 0 0 0.5 1 0.0
Se1 Se-2 0.2883 0.25 0.125 1 0.0
