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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/74/7117496.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7117496
loop_
_publ_author_name
'Steudel, R.'
'Sandow, T.'
'Steidel, J.'
_publ_section_title
;
 Reversible Isomerization of Cyclo-octasulphur Monoxide; Preparation and
 X-Ray Crystal Structure of S8 O Sb Cl5
;
_journal_name_full
;
Journal of the Chemical Society. Chemical Communications (1972-)
;
_journal_page_first              180
_journal_page_last               181
_journal_volume                  1980
_journal_year                    1980
_chemical_formula_sum            'Cl5 O S8 Sb'
_chemical_name_systematic        'S8 O Sb Cl5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.52
_cell_length_b                   8.8
_cell_length_c                   16.21
_cell_volume                     1500.657
_citation_journal_id_ASTM        JCCCAT
_cod_data_source_file            Steudel_JCCCAT_1980_870.cif
_cod_data_source_block           Cl5O1S8Sb1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,y,-x)'
_cod_original_formula_sum        'Cl5 O1 S8 Sb1'
_cod_database_code               7117496
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x,y+1/2,-z
-x,-y,-z
-x-1/2,y,z-1/2
x-1/2,y-1/2,-z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cl1 Cl-1 0.4018 0.25 0.5308 1 0.0
Cl3 Cl-1 0.0978 0.25 0.6042 1 0.0
S4 S 0.7811 0.4359 0.2802 1 0.0
Sb1 Sb+5 0.1933 0.25 0.4751 1 0.0
S2 S 0.5132 0.4381 0.3797 1 0.0
S5 S 0.7864 0.25 0.204 1 0.0
S3 S 0.5983 0.5194 0.2763 1 0.0
Cl4 Cl-1 0.2048 0.5148 0.468 1 0.0
O1 O-2 0.281 0.25 0.3546 1 0.0
S1 S+2 0.4213 0.25 0.3251 1 0.0
Cl2 Cl-1 0.0071 0.25 0.3997 1 0.0
