#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011155.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_9011155
loop_
_publ_author_name
'Mercier, R.'
'Douglade, J.'
'Theobald, F. R.'
_publ_section_title
;
 Structure cristalline de Sb2O3*2SO3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2081
_journal_page_last               2085
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'O9 S2 Sb2'
_chemical_name_mineral           Sb2O3*2SO3
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.59
_cell_length_b                   6.59
_cell_length_c                   17.04
_cell_volume                     740.015
_exptl_crystal_density_diffrn    4.054
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_9050'
_[local]_cod_chemical_formula_sum_orig 'Sb2 S2 O9'
_cod_database_code               9011155
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,-z
1/2-y,1/2+x,1/4+z
1/2-x,1/2+y,1/4-z
-x,-y,1/2+z
-y,-x,1/2-z
1/2+y,1/2-x,3/4+z
1/2+x,1/2-y,3/4-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sb 0.47820 0.65050 0.09230 0.01013
S 0.14730 0.53380 -0.05360 0.01305
O1 -0.00020 0.37470 -0.04600 0.01381
O2 0.20660 0.60990 0.02300 0.02470
O3 0.32920 0.46300 -0.09850 0.03040
O4 0.04680 0.69690 -0.09480 0.02381
O5 0.63780 0.63780 0.00000 0.01659