#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/75/9007587.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_9007587
loop_
_publ_author_name
'Svensson, C.'
_publ_section_title
;
 The crystal structure of orthorhombic antimony trioxide, Sb2O3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              458
_journal_page_last               461
_journal_paper_doi               10.1107/S0567740874002986
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O3 Sb2'
_chemical_name_mineral           Valentinite
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.911
_cell_length_b                   12.464
_cell_length_c                   5.412
_cell_formula_units_Z            4
_cell_volume                     331.272
_database_code_amcsd             0009500
_exptl_crystal_density_diffrn    5.845
_cod_original_formula_sum        'Sb2 O3'
_cod_database_code               9007587
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2-x,y,1/2+z
1/2+x,-y,1/2-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sb 0.01492 0.01369 0.00920 0.00301 0.00100 0.00174
O1 0.03055 0.01181 0.00594 -0.00155 0.00000 0.00000
O2 0.01478 0.01338 0.01083 -0.00527 -0.00566 0.00342
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb 0.04149 0.12745 0.17845
O1 0.25000 0.25000 0.02290
O2 0.15200 0.05910 -0.14460
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 14110
2 AMCSD 0009500
