#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu 27 de Sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/00/1540093.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_1540093
loop_
_publ_author_name
'Hoenle, W.'
'Kuehn, G.'
'Boehnke, U.C.'
_publ_section_title
;
 Crystal structures of two quenched Cu-In-Se phases
;
_journal_name_full               'Crystal Research and Technology'
_journal_page_first              1347
_journal_page_last               1354
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'Cu0.79 In0.78 Se1.8'
_space_group_IT_number           112
_symmetry_space_group_name_Hall  'P -4 2c'
_symmetry_space_group_name_H-M   'P -4 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.755
_cell_length_b                   5.755
_cell_length_c                   11.52
_cell_volume                     381.543
_citation_journal_id_ASTM        CRTEDF
_cod_data_source_file            Hoenle_CRTEDF_1988_599.cif
_cod_data_source_block           Cu0.79In0.78Se1.8
_cod_original_cell_volume        381.5427
_cod_database_code               1540093
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z+1/2
-y,-x,z+1/2
-x,y,-z+1/2
y,x,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
Cu1 Cu 0.5 0 0.25 0.9 0.0
In2 In 0.5 0.5 0 0.56 0.0
Cu2 Cu 0 0 0 0.68 0.0
In1 In 0 0.5 0.25 1 0.0
Se1 Se 0.2575 0.2353 0.1178 0.9 0.0
