The material described by K(WO3)3 crystallizes in the hexagonal P6_3mc space group. K(1) is bonded in a 12-coordinate geometry to six equivalent O(2) and six equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 6-31°. 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 bent 150 degrees geometry to two equivalent K(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_K(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.814
_cell_length_b   7.398
_cell_length_c   7.398
_cell_angle_alpha   120.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.782
_cell_formula_units_Z   1
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
  K  K0  1  0.535  1.000  1.000  1.0
  O  O1  1  0.500  0.000  0.500  1.0
  O  O2  1  1.000  0.211  0.421  1.0
  O  O3  1  1.000  0.211  0.789  1.0
  O  O4  1  0.500  0.500  0.500  1.0
  O  O5  1  1.000  0.579  0.790  1.0
  O  O6  1  0.500  0.500  1.000  1.0
  O  O7  1  1.000  0.421  0.211  1.0
  O  O8  1  1.000  0.790  0.210  1.0
  O  O9  1  1.000  0.790  0.579  1.0
  W  W10  1  0.000  1.000  0.500  1.0
  W  W11  1  0.000  0.500  0.000  1.0
  W  W12  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by K(WO3)3 crystallizes in the hexagonal P6_3mc space group. K(1) is bonded in a 12-coordinate geometry to six equivalent O(2) and six equivalent O(3) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 6-31°. 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 bent 150 degrees geometry to two equivalent K(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_K(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.814
_cell_length_b   7.398
_cell_length_c   7.398
_cell_angle_alpha   120.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.782
_cell_formula_units_Z   1
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
  K  K0  1  0.535  1.000  1.000  1.0
  O  O1  1  0.500  0.000  0.500  1.0
  O  O2  1  1.000  0.211  0.421  1.0
  O  O3  1  1.000  0.211  0.789  1.0
  O  O4  1  0.500  0.500  0.500  1.0
  O  O5  1  1.000  0.579  0.790  1.0
  O  O6  1  0.500  0.500  1.000  1.0
  O  O7  1  1.000  0.421  0.211  1.0
  O  O8  1  1.000  0.790  0.210  1.0
  O  O9  1  1.000  0.790  0.579  1.0
  W  W10  1  0.000  1.000  0.500  1.0
  W  W11  1  0.000  0.500  0.000  1.0
  W  W12  1  0.000  0.500  0.500  1.0
[/CIF]
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