#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012888.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_9012888
loop_
_publ_author_name
'Mercier, R.'
_publ_section_title
;
 Etude structurale du compose As2O3, 1 SO3
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              508
_journal_page_last               517
_journal_volume                  12
_journal_year                    1975
_chemical_formula_sum            'As2 O6 S'
_chemical_name_mineral           As2O3*SO3
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.655
_cell_length_b                   11.54
_cell_length_c                   4.795
_cell_volume                     257.581
_exptl_crystal_density_diffrn    3.583
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_13297'
_[local]_cod_chemical_formula_sum_orig 'As2 S O6'
_cod_database_code               9012888
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,-z
1/2+x,1/2-y,-z
-x,-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As 0.26600 0.19140 0.17800 0.00760
S 0.50000 0.50000 0.21170 0.01254
O1 0.71700 0.45260 0.02100 0.01684
O2 0.90520 0.23950 0.11400 0.00861
O3 0.38300 0.40700 0.38250 0.02558