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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/45/1534568.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_1534568
loop_
_publ_author_name
'Amiraslanov, I.R.'
'Furmanova, N.G.'
'Asadov, F.Yu.'
'Maksimov, B.A.'
'Molchanov, V.N.'
'Musaev, A.A.'
_publ_section_title
;
 Synthesis of a new semiconductor Ga0.5 In1.5 S3 with given structure
;
_journal_name_full               Kristallografiya
_journal_page_first              332
_journal_page_last               336
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Ga0.5 In1.5 S3'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            11
_cell_length_a                   3.814
_cell_length_b                   3.814
_cell_length_c                   100.04
_cell_volume                     1260.276
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Amiraslanov_KRISAJ_1990_973.cif
_cod_data_source_block           Ga0.5In1.5S3
_cod_database_code               1534568
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
In3 In+3 0 0 0.10619 1 0.0
In2 In+3 0.3333 0.6667 0.06828 0.33 0.0
S1 S-2 0 0 0 1 0.0
In5 In+3 0.3333 0.6667 0.1667 0.12 0.0
S6 S-2 0 0 0.15141 1 0.0
Ga3 Ga+3 0.6667 0.3333 0.155 0.3 0.0
In1 In+3 0.6667 0.3333 0.01731 0.87 0.0
Ga2 Ga+3 0.3333 0.6667 0.06828 0.51 0.0
In4 In+3 0.6667 0.3333 0.143 0.48 0.0
Ga1 Ga+3 0.6667 0.3333 0.0342 0.12 0.0
S2 S-2 0.3333 0.6667 0.03008 1 0.0
S3 S-2 0.6667 0.3333 0.06014 1 0.0
S5 S-2 0.6667 0.3333 0.11988 1 0.0
S4 S-2 0.3333 0.6667 0.09188 1 0.0
