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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/11/9011169.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_9011169
loop_
_publ_author_name
'Thornton, G.'
_publ_section_title
;
 A neutron diffraction study of a-Sb2O4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1271
_journal_page_last               1273
_journal_paper_doi               10.1107/S0567740877005822
_journal_volume                  33
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Sb'
_chemical_name_mineral           Cervantite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.456
_cell_length_b                   4.814
_cell_length_c                   11.787
_cell_formula_units_Z            8
_cell_volume                     309.588
_database_code_amcsd             0009585
_exptl_crystal_density_diffrn    6.597
_cod_original_formula_sum        'Sb O2'
_cod_database_code               9011169
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sb1 -0.03200 0.03600 0.00900 -0.00165
Sb2 0.36600 0.01600 0.25300 -0.00165
O1 0.34000 0.17700 0.09620 0.00393
O2 0.15900 0.71000 0.19500 0.00393
O3 0.08600 0.20800 0.31200 0.00393
O4 0.33000 0.84000 0.41000 0.00393
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009585
