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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007587.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_9007587
loop_
_publ_author_name
'Svensson C'
_publ_section_title
;
 The crystal structure of orthorhombic antimony trioxide, Sb2O3
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              458
_journal_page_last               461
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'O3 Sb2'
_[local]_cod_chemical_formula_sum_orig 'Sb2 O3'
_chemical_name_mineral           Valentinite
_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_volume                     331.272
loop_
_symmetry_equiv_pos_as_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_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_
_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
_cod_database_code 9007587