#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/25/9012517.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_9012517
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           Clinocervantite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.56
_cell_angle_gamma                90
_cell_length_a                   12.057
_cell_length_b                   4.8352
_cell_length_c                   5.384
_cell_formula_units_Z            8
_cell_volume                     303.796
_database_code_amcsd             0012698
_exptl_crystal_density_diffrn    6.723
_cod_original_formula_sum        'Sb O2'
_cod_database_code               9012517
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-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
Sb1 0.00110 0.00230 0.00030 0.00010 0.00040 0.00010
Sb2 0.00450 0.00290 0.00550 0.00000 0.00090 0.00000
O1 0.00680 0.00460 0.00290 0.00130 0.00270 -0.00110
O2 0.00570 0.00770 0.00510 0.00490 0.00420 0.00150
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb1 0.25000 0.25000 0.00000
Sb2 0.00000 0.28650 0.25000
O1 0.19080 0.05160 0.67490
O2 0.09460 0.41320 0.96370
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012698
