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#$Date: 2015-07-14 01:51:20 +0300 (Tue, 14 Jul 2015) $
#$Revision: 151429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528769.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_1528769
loop_
_publ_author_name
'Olekseyuk, I.D.'
'Parasyuk, O.V.'
'Piskach, L.V.'
'Dzham, O.A.'
_publ_section_title
;
 The reciprocal Cu In Se2 + 2Cd Se = Cu In Se2 + 2 Cd S system. Part I.
 The quasi-binary Cu In Se2 - Cd Se system: Phase diagram and crystal
 structure of solid solutions
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              315
_journal_page_last               322
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Cd0.06 Cu0.97 In0.97 Se2'
_chemical_name_systematic        'Cu0.97 Cd0.06 In0.97 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                   5.7931
_cell_length_b                   5.7931
_cell_length_c                   11.16383
_cell_volume                     374.658
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Olekseyuk_JSSCBI_2006_1116.cif
_cod_data_source_block           Cd0.06Cu0.97In0.97Se2
_cod_original_cell_volume        374.6582
_cod_database_code               1528769
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
Cd1 Cd+2 0 0 0 0.023 0.0
Cu1 Cu+1 0 0 0 0.977 0.0
In1 In+3 0 0 0.5 0.98 0.0
Se1 Se-2 0.226 0.25 0.125 1 0.0
Cd2 Cd+2 0 0 0.5 0.02 0.0
