#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008034.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_1008034
_chemical_name_systematic          'Tungsten fluoride'
_chemical_formula_structural       'W F6'
_chemical_formula_sum              'F6 W'
_publ_section_title
;
The Structures of Fluorides XIII: The Orthorhombic Form of Tungsten
Hexafluoride at 193K by Neutron Diffraction
;
loop_
_publ_author_name
  'Levy, J H'
  'Taylor, J C'
  'Wilson, P W'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    15
_journal_year                      1975
_journal_page_first                360
_journal_page_last                 365
_cell_length_a                     9.603(3)
_cell_length_b                     8.713(4)
_cell_length_c                     5.044(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       422.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  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
  W1    W6+    4 c 0.1247(12) 0.25 0.0999(35) 1.  0 d
  F1    F1-    4 c 0.0145(10) 0.25 -0.1952(23) 1.  0 d
  F2    F1-    4 c 0.2452(12) 0.25 0.3717(45) 1.  0 d
  F3    F1-    8 d 0.0212(7) 0.0967(8) 0.2330(15) 1.  0 d
  F4    F1-    8 d 0.2357(7) 0.1075(17) -0.0624(39) 1.  0 d
_refine_ls_R_factor_all            0.075