#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009807.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_9009807
loop_
_publ_author_name
'Bodenstein, D.'
'Brehm, A.'
'Jones, P. G.'
'Schwarzmann, E.'
'Sheldrick, G. M.'
_publ_section_title
;
 Darstellung und kristallstruktur von monoklinem arsen(III)antimon(III)oxid,
 AsSbO3
;
_journal_name_full               'Zeitschrift fur Naturforschung B'
_journal_page_first              901
_journal_page_last               904
_journal_volume                  38
_journal_year                    1983
_chemical_formula_sum            'As O3 Sb'
_chemical_name_mineral           Stibioclaudetite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.0
_cell_angle_gamma                90
_cell_length_a                   4.58
_cell_length_b                   13.16
_cell_length_c                   5.44
_cell_volume                     326.636
_exptl_crystal_density_diffrn    4.975
_[local]_cod_chemical_formula_sum_orig 'As Sb O3'
_cod_database_code               9009807
_amcsd_database_code             AMCSD#0013040
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+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
As 0.01300 0.01900 0.01800 -0.00200 0.00000 0.00100
Sb 0.01900 0.02600 0.02600 0.00000 0.00200 -0.00100
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As 0.03710 0.09660 0.25720 0.01600
Sb 0.00540 0.35340 0.33320 0.02300
O1 0.06330 0.21350 0.42960 0.02700
O2 0.14980 0.40250 0.66340 0.02200
O3 0.11870 0.14020 -0.04440 0.02100