#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1004057.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_1004057
_chemical_name_systematic          'TUNGSTEN OXIDE'
_chemical_formula_structural       'W O3'
_chemical_formula_sum              'O3 W'
_publ_section_title
;
Structural study of a new hexagonal form of tungsten trioxide
;
loop_
_publ_author_name
  'Gerand, B'
  'Nowogrocki, G'
  'Guenot, J'
  'Figlarz, M'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    29
_journal_year                      1979
_journal_page_first                429
_journal_page_last                 434
_cell_length_a                     7.298(2)
_cell_length_b                     7.298(2)
_cell_length_c                     3.899(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       179.8
_cell_formula_units_Z              3
_exptl_crystal_density_meas        6.36
_symmetry_space_group_name_H-M     'P 6/m m m'
_symmetry_Int_Tables_number        191
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,z'
  'x-y,-y,z'
  '-x,y-x,z'
  '-x,-y,z'
  'y,y-x,z'
  'x-y,x,z'
  '-y,-x,z'
  'y-x,y,z'
  'x,x-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '-y,-x,-z'
  'y-x,y,-z'
  'x,x-y,-z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  O2-   -2.000
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+    3 f 0.5 0. 0. 1.  0 d
  O1    O2-    3 g 0.5 0. 0.5 1.  0 d
  O2    O2-    6 l 0.212(6) 0.424 0. 1.  0 d
_refine_ls_R_factor_all            0.055