#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008213.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_1008213
_chemical_name_systematic          'Tungsten fluoride'
_chemical_formula_structural       'W F6'
_chemical_formula_sum              'F6 W'
_publ_section_title
;
Neutron powder structural studies of U F~6~, Mo F~6~ and W F~6~ at 77 K
;
loop_
_publ_author_name
  'Levy, J H'
  'Taylor, J C'
  'Waugh, A B'
_journal_name_full                 'Journal of Fluorine Chemistry'
_journal_coden_ASTM                JFLCAR
_journal_volume                    23
_journal_year                      1983
_journal_page_first                29
_journal_page_last                 36
_cell_length_a                     9.422(2)
_cell_length_b                     8.569(2)
_cell_length_c                     4.980(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       402.1
_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 0.1278(10) 0.25 0.0856(28) 1.  0 d
  F1    F1-    4 c 0.0115(9) 0.25 -0.2086(19) 1.  0 d
  F2    F1-    4 c 0.2432(11) 0.25 0.3695(26) 1.  0 d
  F3    F1-    8 d 0.0177(6) 0.0979(7) 0.2381(12) 1.  0 d
  F4    F1-    8 d 0.2387(6) 0.0932(14) -0.0624(23) 1.  0 d
_refine_ls_R_factor_all            0.058
_cod_database_code 1008213