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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/35/4343589.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_4343589
loop_
_publ_author_name
'Templeton, L.K.'
'Templeton, D.H.'
'Seppelt, K.'
'Bartlett, N.'
_publ_section_title
;
 Crystal and molecular structure of xenon bis (oxopentafluoroselenate(VI)
 Xe (O Se F5)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2718
_journal_page_last               2720
_journal_volume                  15
_journal_year                    1976
_chemical_formula_sum            'F10 O2 Se2 Xe'
_chemical_name_systematic        'Xe (O Se F5)2'
_space_group_IT_number           166
_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                   8.588
_cell_length_b                   8.588
_cell_length_c                   11.918
_cell_volume                     761.234
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Templeton_INOCAJ_1976_239.cif
_cod_data_source_block           F10O2Se2Xe1
_cod_original_cell_volume        761.2339
_cod_original_formula_sum        'F10 O2 Se2 Xe1'
_cod_database_code               4343589
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,-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+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
-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
Xe1 Xe+2 0 0 0 1 0.0
F1 F-1 -0.201 -0.074 0.207 0.333 0.0
Se1 Se+6 0 0 0.2723 1 0.0
F2 F-1 -0.077 0.077 0.378 0.333 0.0
F3 F-1 0.201 0.074 0.337 0.333 0.0
O1 O-2 0.055 -0.055 0.164 0.333 0.0
