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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/1/52/87/1528775.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_1528775
loop_
_publ_author_name
'Osamura, K.'
'Murakami, Y.'
'Tomiie, Y.'
_publ_section_title
;
 Crystal Structures of alpha and beta- indium selenide, = In2 Se3
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1848
_journal_page_last               1848
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'In2 Se3'
_space_group_IT_number           160
_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            3
_cell_length_a                   4.05
_cell_length_b                   4.05
_cell_length_c                   28.77
_cell_volume                     408.677
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Osamura_JUPSAU_1966_417.cif
_cod_data_source_block           In2Se3
_cod_original_cell_volume        408.6774
_cod_database_code               1528775
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+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
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
In2 In+3 0 0 0.718 1 0.0
Se3 Se-2 0 0 0.818 1 0.0
Se2 Se-2 0 0 0.525 1 0.0
In1 In+3 0 0 0.242 1 0.0
Se1 Se-2 0 0 0 1 0.0
