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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/50/1525041.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_1525041
loop_
_publ_author_name
'Palatnik, L.S.'
'Atroshchenko, L.V.'
'Belova, E.K.'
'Komnik, Yu.F.'
_publ_section_title
;
 Study of the semiconducting alloys Cu Ga Se2 - Ga2 Se3
;
_journal_name_full               Kristallografiya
_journal_page_first              474
_journal_page_last               479
_journal_volume                  10
_journal_year                    1965
_chemical_formula_sum            'Cu0.25 Ga0.583 Se'
_chemical_name_systematic        '(Cu0.25 Ga0.583) Se'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.506
_cell_length_b                   5.506
_cell_length_c                   5.506
_cell_volume                     166.920
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Palatnik_KRISAJ_1965_1452.cif
_cod_data_source_block           Cu0.25Ga0.583Se1
_cod_original_cell_volume        166.9201
_cod_original_formula_sum        'Cu0.25 Ga0.583 Se1'
_cod_database_code               1525041
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
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z,-x,-y
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x,z,y
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z,y,x
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x,y+1/2,z+1/2
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-y,x+1/2,-z+1/2
x,-y+1/2,-z+1/2
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-x,y+1/2,-z+1/2
y,x+1/2,z+1/2
z,x+1/2,y+1/2
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z,-x+1/2,-y+1/2
-x,-z+1/2,y+1/2
-z,x+1/2,-y+1/2
x,z+1/2,y+1/2
y,z+1/2,x+1/2
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-z,-y+1/2,x+1/2
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z,y+1/2,x+1/2
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x+1/2,-y,-z+1/2
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-z+1/2,x+1/2,-y
x+1/2,z+1/2,y
y+1/2,z+1/2,x
y+1/2,-z+1/2,-x
-z+1/2,-y+1/2,x
-y+1/2,z+1/2,-x
z+1/2,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
Cu1 Cu+1 0 0 0 0.25 0.0
Ga1 Ga+3 0 0 0 0.583 0.0
Se1 Se-2 0.25 0.25 0.25 1 0.0
