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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/4/34/37/4343719.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_4343719
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            'F K O2 S'
_chemical_name_systematic        'K (S O2 F)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.702
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.9725
_cell_length_b                   5.6713
_cell_length_c                   4.6653
_cell_volume                     175.746
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Kessler_INOCAJ_2001_1080.cif
_cod_data_source_block           F1K1O2S1
_cod_original_cell_volume        175.7456
_cod_original_formula_sum        'F1 K1 O2 S1'
_cod_database_code               4343719
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
S2 S+4 0.8364 0.25 0.4447 0.5 0.0
O1 O-2 0.6981 0.0363 0.315 0.5 0.0
O2 O-2 0.9013 0.205 0.7708 0.25 0.0
O3 O-2 0.708 0.0391 0.369 0.25 0.0
K1 K+1 0.2897 0.25 0.1529 1 0.0
F1 F-1 0.8679 0.25 0.786 0.5 0.0
F2 F-1 0.6581 0.0341 0.332 0.25 0.0
S1 S+4 0.8212 0.25 0.4043 0.5 0.0
