The material described by WO3 is High-temperature superconductor-like structured and crystallizes in the orthorhombic Pbcm 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 0-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear 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. In the third O site, O(3) 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   3.899
_cell_length_b   7.498
_cell_length_c   7.665
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.107
_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  0.943  0.750  0.026  1.0
  W  W1  1  0.057  0.750  0.526  1.0
  W  W2  1  0.943  0.250  0.474  1.0
  W  W3  1  0.057  0.250  0.974  1.0
  O  O4  1  0.993  0.250  0.241  1.0
  O  O5  1  0.511  0.250  0.989  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.007  0.250  0.741  1.0
  O  O8  1  0.511  0.750  0.511  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.007  0.750  0.759  1.0
  O  O11  1  0.489  0.750  0.011  1.0
  O  O12  1  0.993  0.750  0.259  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.489  0.250  0.489  1.0
  O  O15  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by WO3 is High-temperature superconductor-like structured and crystallizes in the orthorhombic Pbcm 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 0-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear 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. In the third O site, O(3) 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   3.899
_cell_length_b   7.498
_cell_length_c   7.665
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.107
_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  0.943  0.750  0.026  1.0
  W  W1  1  0.057  0.750  0.526  1.0
  W  W2  1  0.943  0.250  0.474  1.0
  W  W3  1  0.057  0.250  0.974  1.0
  O  O4  1  0.993  0.250  0.241  1.0
  O  O5  1  0.511  0.250  0.989  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.007  0.250  0.741  1.0
  O  O8  1  0.511  0.750  0.511  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.007  0.750  0.759  1.0
  O  O11  1  0.489  0.750  0.011  1.0
  O  O12  1  0.993  0.750  0.259  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.489  0.250  0.489  1.0
  O  O15  1  0.000  0.000  0.500  1.0
[/CIF]
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