#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/91/1509125.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_1509125
loop_
_publ_author_name
'Husak, O.A.'
'Parasyuk, O.V.'
'Gulay, L.D.'
'Olekseyuk, I.D.'
_publ_section_title
;
 The Ag Ga S2 + 2(Cd Se) <=> Ag Ga Se2 + 2(Cd S) system
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              25
_journal_page_last               35
_journal_paper_doi               10.1016/j.jallcom.2003.08.006
_journal_volume                  367
_journal_year                    2004
_chemical_formula_sum            'Ag0.5 Cd Ga0.5 S Se'
_chemical_name_systematic
;
Silver cadmium gallium sulfide selenide (0.5/1/0.5/1/1) - beta
;
_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                   4.1224
_cell_length_b                   4.1224
_cell_length_c                   6.7363
_cell_volume                     99.141
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            silver0-1_93.cif
_cod_data_source_block           Ag0.5Cd1Ga0.5S1Se1
_cod_original_cell_volume        99.14076
_cod_original_formula_sum        'Ag0.5 Cd1 Ga0.5 S1 Se1'
_cod_database_code               1509125
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
Cd1 Cd+2 0.3333 0.6667 0.3772 0.5
Se1 Se-2 0.3333 0.6667 0 0.5
Ga1 Ga+3 0.3333 0.6667 0.3772 0.25
Ag1 Ag+1 0.3333 0.6667 0.3772 0.25
S1 S-2 0.3333 0.6667 0 0.5
