#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008087.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
_chemical_name_systematic          'Xenon(II) xenon(IV) fluoride'
_chemical_formula_structural       'Xe F2 Xe F4'
_chemical_formula_sum              'F6 Xe2'
_publ_section_title
;
The crystal structure of the molecular addition compound xenon
diluoride - xenon tetrafluoride
;
loop_
_publ_author_name
  'Burns, J H'
  'Ellison, R D'
  'Levy, H A'
_journal_name_full                 'Acta Crystallographica (1,1948-23,1967)'
_journal_coden_ASTM                ACCRA9
_journal_volume                    18
_journal_year                      1965
_journal_page_first                11
_journal_page_last                 16
_cell_length_a                     6.64(1)
_cell_length_b                     7.33(1)
_cell_length_c                     6.40(1)
_cell_angle_alpha                  90
_cell_angle_beta                   92.67(8)
_cell_angle_gamma                  90
_cell_volume                       311.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/c 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
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_type_symbol
_atom_type_oxidation_number
  Xe2+   2.000
  Xe4+   4.000
  F1-   -1.000
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
_refine_ls_R_factor_all            0.031