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#$Date: 2016-11-14 04:19:24 +0200 (Mon, 14 Nov 2016) $
#$Revision: 188422 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008087.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_1008087
loop_
_publ_author_name
'Burns, J. H.'
'Ellison, R. D.'
'Levy, H. A.'
_publ_section_title
;
The crystal structure of the molecular addition compound xenon
diluoride - xenon tetrafluoride
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   1
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              11
_journal_page_last               16
_journal_paper_doi               10.1107/S0365110X65000038
_journal_volume                  18
_journal_year                    1965
_chemical_formula_structural     'Xe F2 Xe F4'
_chemical_formula_sum            'F6 Xe2'
_chemical_name_systematic        'Xenon(II) xenon(IV) fluoride'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.67(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.64(1)
_cell_length_b                   7.33(1)
_cell_length_c                   6.40(1)
_cell_volume                     311.2
_refine_ls_R_factor_all          0.031
_cod_database_code               1008087
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Xe1 Xe2+ 2 a 0. 0. 0. 1. 0 d
Xe2 Xe4+ 2 d 0.5 0. 0.5 1. 0 d
F1 F1- 4 e 0.1681(9) -0.1875(10) 0.1524(11) 1. 0 d
F2 F1- 4 e 0.5053(11) 0.0783(13) 0.2114(9) 1. 0 d
F3 F1- 4 e 0.240(1) 0.1087(10) 0.5163(13) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Xe2+ 2.000
Xe4+ 4.000
F1- -1.000