The material structure described by WO3 is alpha Rhenium trioxide-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second W site, W(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to one W(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one W(1) and one W(2) atom. is represented by the CIF card [CIF]
data_WO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.444
_cell_length_b   5.444
_cell_length_c   5.456
_cell_angle_alpha   119.872
_cell_angle_beta   119.659
_cell_angle_gamma   90.288
_symmetry_Int_Tables_number   1
_cell_volume   114.874
_cell_formula_units_Z   2
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
  O  O0  1  0.767  0.767  0.000  1.0
  O  O1  1  0.233  0.233  0.000  1.0
  O  O2  1  0.254  0.280  0.534  1.0
  O  O3  1  0.746  0.720  0.466  1.0
  O  O4  1  0.263  0.763  0.500  1.0
  O  O5  1  0.737  0.237  0.500  1.0
  W  W6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material structure described by WO3 is alpha Rhenium trioxide-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second W site, W(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(2) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to one W(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one W(1) and one W(2) atom. is represented by the CIF card [CIF]
data_WO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.444
_cell_length_b   5.444
_cell_length_c   5.456
_cell_angle_alpha   119.872
_cell_angle_beta   119.659
_cell_angle_gamma   90.288
_symmetry_Int_Tables_number   1
_cell_volume   114.874
_cell_formula_units_Z   2
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
  O  O0  1  0.767  0.767  0.000  1.0
  O  O1  1  0.233  0.233  0.000  1.0
  O  O2  1  0.254  0.280  0.534  1.0
  O  O3  1  0.746  0.720  0.466  1.0
  O  O4  1  0.263  0.763  0.500  1.0
  O  O5  1  0.737  0.237  0.500  1.0
  W  W6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.500  1.0
[/CIF]
.