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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/4/03/14/4031457.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_4031457
loop_
_publ_author_name
'Gillespie, R.J.'
'Schrobilgen, G.J.D.'
'Slim, D.R.'
_publ_section_title
;
 Crystal structure of mue-fluorosulphato-bis(fluoroxenon(II))
 hexafluoroarsenate(V)
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1003
_journal_page_last               1006
_journal_volume                  1977
_journal_year                    1977
_chemical_formula_sum            'As F9 O3 S Xe2'
_chemical_name_systematic        '((Xe F)2 S F O3) (As F6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.178
_cell_length_b                   8.718
_cell_length_c                   11.687
_cell_volume                     1138.612
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Gillespie_JCDTBI_1977_134.cif
_cod_data_source_block           As1F9O3S1Xe2
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'As1 F9 O3 S1 Xe2'
_cod_database_code               4031457
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
F9 F-1 -0.4754 -0.0152 0.1494 1 0.0
Xe1 Xe+2 0.1487 0.1774 -0.1108 1 0.0
As1 As+5 -0.1919 0.3144 0.0636 1 0.0
F4 F-1 -0.1667 0.2259 0.1851 1 0.0
F8 F-1 0.2793 0.1583 -0.0096 1 0.0
F3 F-1 -0.1384 0.1581 -0.0134 1 0.0
F1 F-1 -0.0614 0.0637 -0.3939 1 0.0
O1 O-2 -0.2107 0.1661 -0.2825 1 0.0
F2 F-1 -0.33 0.2431 0.0487 1 0.0
F6 F-1 -0.2086 0.4039 -0.0603 1 0.0
F5 F-1 -0.0533 0.3718 0.0737 1 0.0
O2 O-2 -0.0043 0.2091 -0.2306 1 0.0
O3 O-2 -0.0883 -0.0423 -0.2084 1 0.0
F7 F-1 -0.2592 0.4597 0.1356 1 0.0
S1 S+6 -0.0926 0.0945 -0.2689 1 0.0
Xe2 Xe+2 -0.3794 0.0809 -0.2078 1 0.0
