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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528772.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_1528772
loop_
_publ_author_name
'Olekseyuk, I.D.'
'Parasyuk, O.V.'
'Dzham, O.A.'
'Piskach, L.V.'
_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            'Cd0.82 Cu0.09 In0.09 Se'
_chemical_name_systematic        'Cu0.09 Cd0.82 In0.09 Se'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.2613
_cell_length_b                   4.2613
_cell_length_c                   69.59
_cell_volume                     1094.364
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Olekseyuk_JSSCBI_2006_1119.cif
_cod_data_source_block           Cd0.82Cu0.09In0.09Se1
_cod_original_formula_sum        'Cd0.82 Cu0.09 In0.09 Se1'
_cod_database_code               1528772
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
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
Cd2 Cd+2 0.3333 0.6667 -0.0001 0.798 0.0
In3 In+3 0.3333 0.6667 -0.0001 0.102 0.0
Cu1 Cu+1 0.3333 0.6667 -0.0001 0.095 0.0
Se1 Se-2 0.3333 0.6667 0.3776 1 0.0
