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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008065.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_1008065
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
difluoride-xenon tetrafluoride
;
_journal_coden_ASTM              JPCHAX
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1569
_journal_page_last               1570
_journal_volume                  67
_journal_year                    1963
_chemical_formula_structural     'Xe F2 Xe F4'
_chemical_formula_sum            'F6 Xe2'
_chemical_name_systematic        'Xenon difluoride xenon tetrafluoride'
_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
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.64
_cell_length_b                   7.33
_cell_length_c                   6.4
_cell_volume                     311.2
_cod_database_code               1008065
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 0.168(1) -0.187(1) 0.153(1) 1. 0 d
F2 F1- 4 e 0.505(1) 0.079(1) 0.212(1) 1. 0 d
F3 F1- 4 e 0.240(1) 0.109(1) 0.516(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Xe2+ 2.000
Xe4+ 4.000
F1- -1.000