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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/74/9007437.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
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
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              99
_journal_page_last               102
_journal_paper_doi               10.1107/S0365110X57000298
_journal_volume                  10
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Sb2 Se3'
_chemical_name_mineral           Antimonselite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_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_formula_units_Z            4
_cell_volume                     541.872
_database_code_amcsd             0009196
_exptl_crystal_density_diffrn    5.888
_cod_database_code               9007437
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009196
