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#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/89/1508996.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_1508996
loop_
_publ_author_name
'Olekseyuk, I.D.'
'Husak, O.A.'
'Gulay, L.D.'
'Kadykalo, E.M.'
'Parasyuk, O.V.'
_publ_section_title
;
 Phase diagram of the (Ag Ga Se2) - (Cd Se) system and crystal structure
 of the Ag Cd2 Ga Se4 compound
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              125
_journal_page_last               131
_journal_paper_doi               10.1016/S0925-8388(02)00143-3
_journal_volume                  343
_journal_year                    2002
_chemical_formula_sum            'Ag0.52 Cd0.96 Ga0.52 Se2'
_chemical_name_systematic
'Silver cadmium gallium selenide (0.52/0.96/0.52/2)'
_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            1
_cell_length_a                   4.2088
_cell_length_b                   4.2088
_cell_length_c                   6.8956
_cell_volume                     105.784
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            silver0-1_122.cif
_cod_data_source_block           Ag0.52Cd0.96Ga0.52Se2
_cod_original_cell_volume        105.7838
_cod_database_code               1508996
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
Ag1 Ag+1 0.3333 0.6667 0.3767 0.26
Cd1 Cd+2 0.3333 0.6667 0.3767 0.48
Ga1 Ga+3 0.3333 0.6667 0.3767 0.26
Se1 Se-2 0.3333 0.6667 0 1
