#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/24/1532445.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_1532445
loop_
_publ_author_name
'Zmii, O.F.'
'Kadykalo, E.M.'
'Strok, O.M.'
'Olekseyuk, I.D.'
_publ_section_title
;
 The crystal structure of the Cu0.24 Ga1.61 (vac)0.15 Se2 phase
;
_journal_name_full
'Ukrains'kii Khimicheskii Zhurnal (Russian Edition)'
_journal_page_first              33
_journal_page_last               35
_journal_volume                  67
_journal_year                    2001
_chemical_formula_sum            'Cu0.24 Ga1.61 Se2'
_space_group_IT_number           119
_symmetry_space_group_name_Hall  'I -4 -2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.974
_cell_length_b                   3.974
_cell_length_c                   5.506
_cell_volume                     86.954
_citation_journal_id_ASTM        UKZHAU
_cod_data_source_file            Zmii_UKZHAU_2001_642.cif
_cod_data_source_block           Cu0.24Ga1.61Se2
_cod_original_cell_volume        86.95448
_cod_database_code               1532445
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
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+1/2,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
Ga1 Ga+2 0 0.5 0.25 0.805 0.0
Se1 Se-2 0 0 0 1 0.0
Cu1 Cu+1 0 0.5 0.25 0.12 0.0
