The crystal structure described by WZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent W(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with eight equivalent W(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-79°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent W(1) and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2W2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent W(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   5.384
_cell_length_c   7.941
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.895
_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
  Zn  Zn0  1  0.518  0.019  0.250  1.0
  Zn  Zn1  1  0.018  0.481  0.750  1.0
  Zn  Zn2  1  0.982  0.519  0.250  1.0
  Zn  Zn3  1  0.482  0.981  0.750  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  W  W5  1  0.500  0.500  0.000  1.0
  W  W6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.385  0.605  0.750  1.0
  O  O9  1  0.885  0.895  0.250  1.0
  O  O10  1  0.115  0.105  0.750  1.0
  O  O11  1  0.615  0.395  0.250  1.0
  O  O12  1  0.163  0.323  0.431  1.0
  O  O13  1  0.663  0.177  0.569  1.0
  O  O14  1  0.337  0.823  0.069  1.0
  O  O15  1  0.837  0.677  0.931  1.0
  O  O16  1  0.163  0.323  0.069  1.0
  O  O17  1  0.663  0.177  0.931  1.0
  O  O18  1  0.837  0.677  0.569  1.0
  O  O19  1  0.337  0.823  0.431  1.0
[/CIF]
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The crystal structure described by WZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent W(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-47°. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with eight equivalent W(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-79°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent W(1) and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2W2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent W(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_ZnWO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   5.384
_cell_length_c   7.941
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.895
_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
  Zn  Zn0  1  0.518  0.019  0.250  1.0
  Zn  Zn1  1  0.018  0.481  0.750  1.0
  Zn  Zn2  1  0.982  0.519  0.250  1.0
  Zn  Zn3  1  0.482  0.981  0.750  1.0
  W  W4  1  0.000  0.000  0.000  1.0
  W  W5  1  0.500  0.500  0.000  1.0
  W  W6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.385  0.605  0.750  1.0
  O  O9  1  0.885  0.895  0.250  1.0
  O  O10  1  0.115  0.105  0.750  1.0
  O  O11  1  0.615  0.395  0.250  1.0
  O  O12  1  0.163  0.323  0.431  1.0
  O  O13  1  0.663  0.177  0.569  1.0
  O  O14  1  0.337  0.823  0.069  1.0
  O  O15  1  0.837  0.677  0.931  1.0
  O  O16  1  0.163  0.323  0.069  1.0
  O  O17  1  0.663  0.177  0.931  1.0
  O  O18  1  0.837  0.677  0.569  1.0
  O  O19  1  0.337  0.823  0.431  1.0
[/CIF]
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