#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010618.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_1010618
_chemical_name_systematic          'Tungsten trioxide'
_chemical_formula_structural       'W O3'
_chemical_formula_sum              'O3 W'
_publ_section_title
;
Die Kristallstrukturen der Trioxide von Chrom, Molybdaen und Wolfram
;
_publ_author_name                  'Braekken, H'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    78
_journal_year                      1931
_journal_page_first                484
_journal_page_last                 489
_cell_length_a                     7.28(5)
_cell_length_b                     7.48(5)
_cell_length_c                     3.82(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       208.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-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+    2 i 0.25 0.031 0.0625 1.  0 d
  W2    W6+    2 i 0.25 0.531 0.0625 1.  0 d
  O1    O2-    1 a 0. 0. 0. 1.  0 d
  O2    O2-    1 d 0.5 0. 0. 1.  0 d
  O3    O2-    1 c 0. 0.5 0. 1.  0 d
  O4    O2-    1 e 0.5 0.5 0. 1.  0 d
  O5    O2-    2 i 0.25 0.281 0. 1.  0 d
  O6    O2-    2 i 0.25 0.219 0. 1.  0 d
  O7    O2-    2 i 0.25 0.031 0.5625 1.  0 d
  O8    O2-    2 i 0.25 0.531 0.4375 1.  0 d