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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/1/52/61/1526197.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_1526197
loop_
_publ_author_name
'Grzechnik, A.'
'Ursaki, V.V.'
'Syassen, K.'
'Tiginyanu, I.M.'
'Loa, I.'
'Hanfland, M.'
_publ_section_title
;
 Pressure-induced phase transitions in cadmium thiogallate Cd Ga2 Se4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              205
_journal_page_last               211
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'Cd Ga2 Se4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3167
_cell_length_b                   5.3167
_cell_length_c                   10.2858
_cell_volume                     290.752
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Grzechnik_JSSCBI_2001_1617.cif
_cod_data_source_block           Cd1Ga2Se4
_cod_original_cell_volume        290.7518
_cod_original_formula_sum        'Cd1 Ga2 Se4'
_cod_database_code               1526197
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
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
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
Ga2 Ga+3 0 0.5 0.25 1 0.0
Se1 Se-2 0.2936 0.229 0.1448 1 0.0
Ga1 Ga+3 0 0 0.5 1 0.0
Cd1 Cd+2 0 0 0 1 0.0
