The compound described by WO3 crystallizes in the monoclinic P2_1/c space group. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 19-26°. There are three 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 bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_WO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.306
_cell_length_c   7.693
_cell_angle_alpha   88.498
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.484
_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  0.768  0.254  0.217  1.0
  W  W1  1  0.268  0.746  0.283  1.0
  W  W2  1  0.232  0.746  0.783  1.0
  W  W3  1  0.732  0.254  0.717  1.0
  O  O4  1  0.535  0.541  0.716  1.0
  O  O5  1  0.183  0.748  0.506  1.0
  O  O6  1  0.465  0.459  0.284  1.0
  O  O7  1  0.537  0.967  0.284  1.0
  O  O8  1  0.317  0.748  0.006  1.0
  O  O9  1  0.463  0.033  0.716  1.0
  O  O10  1  0.965  0.541  0.216  1.0
  O  O11  1  0.037  0.033  0.216  1.0
  O  O12  1  0.963  0.967  0.784  1.0
  O  O13  1  0.035  0.459  0.784  1.0
  O  O14  1  0.817  0.252  0.494  1.0
  O  O15  1  0.683  0.252  0.994  1.0
[/CIF]
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The compound described by WO3 crystallizes in the monoclinic P2_1/c space group. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 19-26°. There are three 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 bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_WO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.207
_cell_length_b   5.306
_cell_length_c   7.693
_cell_angle_alpha   88.498
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.484
_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  0.768  0.254  0.217  1.0
  W  W1  1  0.268  0.746  0.283  1.0
  W  W2  1  0.232  0.746  0.783  1.0
  W  W3  1  0.732  0.254  0.717  1.0
  O  O4  1  0.535  0.541  0.716  1.0
  O  O5  1  0.183  0.748  0.506  1.0
  O  O6  1  0.465  0.459  0.284  1.0
  O  O7  1  0.537  0.967  0.284  1.0
  O  O8  1  0.317  0.748  0.006  1.0
  O  O9  1  0.463  0.033  0.716  1.0
  O  O10  1  0.965  0.541  0.216  1.0
  O  O11  1  0.037  0.033  0.216  1.0
  O  O12  1  0.963  0.967  0.784  1.0
  O  O13  1  0.035  0.459  0.784  1.0
  O  O14  1  0.817  0.252  0.494  1.0
  O  O15  1  0.683  0.252  0.994  1.0
[/CIF]
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