#------------------------------------------------------------------------------
#$Date: 2015-07-12 21:01:14 +0200 (dom 12 de jul de 2015) $
#$Revision: 148312 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/70/1527024.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_1527024
loop_
_publ_author_name
'Ye, J.'
'Hanada, T.'
'Nakamura, Y.'
'Nittono, O.'
_publ_section_title
;
 X-ray crystallographic study of the optically active semiconductor (Gax
 In1-x)2 Se3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              16549
_journal_page_last               16554
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'Ga0.8 In1.2 Se3'
_chemical_name_systematic        '(Ga0.4 In0.6)2 Se3'
_space_group_IT_number           169
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.985
_cell_length_b                   6.985
_cell_length_c                   18.99
_cell_volume                     802.395
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Ye_PRBMDO_2000_479.cif
_cod_data_source_block           Ga0.8In1.2Se3
_cod_original_cell_volume        802.3954
_cod_database_code               1527024
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/6
-y,x-y,z+1/3
-x,-y,z+1/2
-x+y,-x,z+2/3
y,-x+y,z+5/6
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
In1 In+3 -0.001 0.668 -0.0229 0.6 0.0
Se3 Se-2 0.722 0.039 0.1308 1 0.0
Se1 Se-2 0.303 0.354 0.1578 1 0.0
Se2 Se-2 -0.025 0.623 0.1267 1 0.0
In2 In+3 0.6875 0.0005 0 0.6 0.0
Ga1 Ga+3 -0.001 0.668 -0.0229 0.4 0.0
Ga2 Ga+3 0.6875 0.0005 0 0.4 0.0
