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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011165.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_9011165
loop_
_publ_author_name
'Bovin, J. O.'
_publ_section_title
;
 The crystal structure of the antimony(III) oxide sulphate Sb6O7(SO4)2
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1771
_journal_page_last               1777
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'O15 S2 Sb6'
_chemical_name_mineral           Sb6O7(SO4)2
_space_group_IT_number           37
_symmetry_space_group_name_Hall  'C 2 -2c'
_symmetry_space_group_name_H-M   'C c c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.073
_cell_length_b                   19.023
_cell_length_c                   5.876
_cell_volume                     1349.510
_exptl_crystal_density_diffrn    5.092
_[local]_cod_chemical_formula_sum_orig 'Sb6 S2 O15'
_cod_database_code               9011165
_amcsd_database_code             AMCSD#0009465
loop_
_symmetry_equiv_pos_as_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 0.01130 0.01412 0.00973 -0.00047 -0.00007 -0.00289
Sb2 0.00812 0.01320 0.01478 0.00256 -0.00050 -0.00413
Sb3 0.01418 0.01375 0.00915 -0.00547 -0.00047 -0.00006
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sb1 0.10783 0.06606 0.00000 ?
Sb2 0.68785 0.06510 0.11354 ?
Sb3 0.09265 0.20691 0.63163 ?
S 0.36650 0.15540 0.15890 0.01520
O1 0.00000 0.00000 -0.15480 0.01520
O2 0.24230 -0.00090 -0.11290 0.01393
O3 0.84700 0.10100 0.17000 0.01140
O4 0.00710 0.16520 0.89300 0.01520
O5 0.30850 0.16750 0.93960 0.03926
O6 0.28470 0.15470 0.35000 0.01646
O7 0.44560 0.21240 0.20110 0.04686
O8 0.42370 0.08780 0.16270 0.02913