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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/4/34/35/4343598.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_4343598
loop_
_publ_author_name
'Bartlett, N.'
'Wechsberg, M.'
'Jones, G.R.'
'Burbank, R.D.'
_publ_section_title
;
 The crystal structure of xenon(II) fluoride fluorosulfate, F Xe O S O2 F
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1124
_journal_page_last               1127
_journal_volume                  11
_journal_year                    1972
_chemical_formula_sum            'F2 O3 S Xe'
_chemical_name_systematic        'Xe F (S O3 F)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.88
_cell_length_b                   10
_cell_length_c                   10.13
_cell_volume                     1000.844
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Bartlett_INOCAJ_1972_9.cif
_cod_data_source_block           F2O3S1Xe1
_cod_original_formula_sum        'F2 O3 S1 Xe1'
_cod_database_code               4343598
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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
S1 S+6 0.534 0.2269 0.4849 1 0.0
F2 F-1 0.4555 0.1398 0.5842 1 0.0
F1 F-1 0.8095 0.5394 0.7791 1 0.0
Xe1 Xe+2 0.6757 0.4519 0.6686 1 0.0
O1 O-2 0.5205 0.3618 0.5484 1 0.0
O3 O-2 0.4598 0.2206 0.3656 1 0.0
O2 O-2 0.6701 0.1784 0.4886 1 0.0
