#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007437.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_9007437
loop_
_publ_author_name
'Tideswell N W'
'Kruse F H'
'McCullough J D'
_publ_section_title
;
 The crystal structure of antimony selenide, Sb2Se3
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              99
_journal_page_last               102
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Sb2 Se3'
_chemical_name_mineral           Antimonselite
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.62
_cell_length_b                   11.77
_cell_length_c                   3.962
_cell_volume                     541.872
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sb1 0.32800 0.03050 0.25000 0.01393
Sb2 0.03970 0.14780 0.75000 0.01393
Se1 0.87320 0.05340 0.25000 0.01393
Se2 0.44340 0.13020 0.75000 0.01393
Se3 0.19350 0.21320 0.25000 0.01393
_cod_database_code 9007437