The compound described by WO3 crystallizes in the tetragonal P4/ncc space group. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_WO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   5.237
_cell_length_c   7.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.609
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  W  W0  1  0.750  0.750  0.217  1.0
  W  W1  1  0.750  0.750  0.717  1.0
  W  W2  1  0.250  0.250  0.283  1.0
  W  W3  1  0.250  0.250  0.783  1.0
  O  O4  1  0.047  0.547  0.750  1.0
  O  O5  1  0.547  0.047  0.250  1.0
  O  O6  1  0.047  0.953  0.250  1.0
  O  O7  1  0.953  0.453  0.250  1.0
  O  O8  1  0.547  0.453  0.750  1.0
  O  O9  1  0.453  0.953  0.750  1.0
  O  O10  1  0.953  0.047  0.750  1.0
  O  O11  1  0.453  0.547  0.250  1.0
  O  O12  1  0.750  0.750  0.994  1.0
  O  O13  1  0.250  0.250  0.506  1.0
  O  O14  1  0.750  0.750  0.494  1.0
  O  O15  1  0.250  0.250  0.006  1.0
[/CIF]
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The compound described by WO3 crystallizes in the tetragonal P4/ncc space group. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_WO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   5.237
_cell_length_c   7.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.609
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  W  W0  1  0.750  0.750  0.217  1.0
  W  W1  1  0.750  0.750  0.717  1.0
  W  W2  1  0.250  0.250  0.283  1.0
  W  W3  1  0.250  0.250  0.783  1.0
  O  O4  1  0.047  0.547  0.750  1.0
  O  O5  1  0.547  0.047  0.250  1.0
  O  O6  1  0.047  0.953  0.250  1.0
  O  O7  1  0.953  0.453  0.250  1.0
  O  O8  1  0.547  0.453  0.750  1.0
  O  O9  1  0.453  0.953  0.750  1.0
  O  O10  1  0.953  0.047  0.750  1.0
  O  O11  1  0.453  0.547  0.250  1.0
  O  O12  1  0.750  0.750  0.994  1.0
  O  O13  1  0.250  0.250  0.506  1.0
  O  O14  1  0.750  0.750  0.494  1.0
  O  O15  1  0.250  0.250  0.006  1.0
[/CIF]
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