#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/76/9007637.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_9007637
loop_
_publ_author_name
'Jones, P. G.'
'Beesk, W.'
'Sheldrick, G. M.'
'Schwarzmann, E.'
_publ_section_title
;
 Arsenic dioxide
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              439
_journal_page_last               440
_journal_paper_doi               10.1107/S0567740880003433
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     AsO2
_chemical_formula_sum            'As O2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.597
_cell_length_b                   5.235
_cell_length_c                   7.269
_cell_formula_units_Z            8
_cell_volume                     327.143
_database_code_amcsd             0009702
_exptl_crystal_density_diffrn    4.342
_cod_database_code               9007637
_amcsd_formula_title             AsO2
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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
As1 0.02200 0.02100 0.02200 0.00000 0.00000 0.00000
As2 0.02300 0.02300 0.02300 0.00000 -0.00200 0.00000
O1 0.02900 0.02100 0.02800 0.00200 0.00400 0.00300
O2 0.02600 0.02700 0.02600 0.00000 0.00500 0.00000
O3 0.03000 0.03700 0.03200 0.00000 -0.00500 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 0.07380 0.25000 0.17310
As2 0.26470 0.25000 -0.19650
O1 0.09000 -0.00500 0.31960
O2 0.24650 0.25000 0.05270
O3 -0.08840 0.25000 0.06200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009702
