#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/25/9012516.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_9012516
loop_
_publ_author_name
'Amador, J.'
'Gutierrez-Puebla E'
'Monge, M. A.'
'Rasines, I.'
'Ruiz-Valero C'
_publ_section_title
;
 Diantimony tetraoxides revisited
 Note: displacement parameters from ICSD
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1367
_journal_page_last               1370
_journal_paper_doi               10.1021/ic00281a011
_journal_volume                  27
_journal_year                    1988
_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                   5.434
_cell_length_b                   4.8091
_cell_length_c                   11.779
_cell_formula_units_Z            8
_cell_volume                     307.816
_database_code_amcsd             0012697
_exptl_crystal_density_diffrn    6.635
_cod_original_formula_sum        'Sb O2'
_cod_database_code               9012516
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_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
Sb1 0.00190 0.00260 0.00120 -0.00020 0.00000 0.00040
Sb2 0.00550 0.00450 0.00630 -0.00040 0.00160 -0.00060
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sb1 0.37270 -0.00080 0.24830 ?
Sb2 -0.02250 0.03580 0.00000 ?
O1 0.31750 0.15720 0.09520 0.00850
O2 0.15120 0.70540 0.19120 0.00590
O3 0.08220 0.20210 0.30520 0.00580
O4 0.35180 0.83200 0.40760 0.00040
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012697
