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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310974.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310974
loop_
_publ_author_name
'Tideswell, N.W.'
'Kruse, F.H.'
'McCullough, J.D.'
_publ_section_title
;
 The crystal structure of antimony selenide, Sb2 Se3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              99
_journal_page_last               102
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Sb2 Se3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.77
_cell_length_b                   3.962
_cell_length_c                   11.62
_cell_volume                     541.872
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Tideswell_ACCRA9_1957_1838.cif
_cod_data_source_block           Sb2Se3
_cod_original_cell_volume        541.8724
_cod_database_code               2310974
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
Se3 Se 0.2132 0.25 0.1935 1 0.0
Sb1 Sb 0.0305 0.25 0.328 1 0.0
Se2 Se 0.1302 0.25 0.4434 1 0.0
Sb2 Sb 0.1478 0.25 0.0397 1 0.0
Se1 Se 0.0534 0.25 0.8732 1 0.0
