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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/4/34/37/4343722.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_4343722
loop_
_publ_author_name
'Kessler, U.'
'van Wuellen, L.'
'Jansen, M.'
_publ_section_title
;
 Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-)
 in the alkali metal fluorosulfites and crystal structures of alpha- and
 beta-(Cs S O2 F)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7040
_journal_page_last               7046
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Cs F O2 S'
_chemical_name_systematic        'Cs (S O2 F)'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.5922
_cell_length_b                   6.5922
_cell_length_c                   8.005
_cell_volume                     301.268
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Kessler_INOCAJ_2001_1094.cif
_cod_data_source_block           Cs1F1O2S1
_cod_original_cell_volume        301.2678
_cod_original_formula_sum        'Cs1 F1 O2 S1'
_cod_database_code               4343722
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Cs1 Cs+1 0 0 0.0993 1 0.0
S1 S+4 0 0 0.614 1 0.0
F1 F-1 0.891 0.109 0.724 0.333 0.0
O1 O-2 0.254 0.127 0.695 0.667 0.0
