The structure described by KNbWO6 crystallizes in the orthorhombic Ima2 space group. K(1) is bonded in a hexagonal planar geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Nb(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 3-coordinate geometry to one K(1), one Nb(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Nb(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.489
_cell_length_b   7.489
_cell_length_c   7.489
_cell_angle_alpha   120.255
_cell_angle_beta   119.665
_cell_angle_gamma   90.070
_symmetry_Int_Tables_number   1
_cell_volume   297.200
_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
  K  K0  1  0.018  0.052  0.533  1.0
  K  K1  1  0.982  0.515  0.033  1.0
  Nb  Nb2  1  0.500  0.998  0.498  1.0
  Nb  Nb3  1  0.000  0.998  0.998  1.0
  W  W4  1  0.500  0.498  0.498  1.0
  W  W5  1  0.500  0.998  0.998  1.0
  O  O6  1  0.185  0.938  0.252  1.0
  O  O7  1  0.556  0.306  0.250  1.0
  O  O8  1  0.195  0.941  0.880  1.0
  O  O9  1  0.559  0.315  0.619  1.0
  O  O10  1  0.196  0.315  0.256  1.0
  O  O11  1  0.561  0.941  0.245  1.0
  O  O12  1  0.815  0.067  0.752  1.0
  O  O13  1  0.444  0.694  0.750  1.0
  O  O14  1  0.804  0.060  0.119  1.0
  O  O15  1  0.439  0.684  0.380  1.0
  O  O16  1  0.805  0.684  0.745  1.0
  O  O17  1  0.441  0.060  0.756  1.0
[/CIF]
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The structure described by KNbWO6 crystallizes in the orthorhombic Ima2 space group. K(1) is bonded in a hexagonal planar geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-40°. W(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Nb(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 3-coordinate geometry to one K(1), one Nb(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Nb(1), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.489
_cell_length_b   7.489
_cell_length_c   7.489
_cell_angle_alpha   120.255
_cell_angle_beta   119.665
_cell_angle_gamma   90.070
_symmetry_Int_Tables_number   1
_cell_volume   297.200
_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
  K  K0  1  0.018  0.052  0.533  1.0
  K  K1  1  0.982  0.515  0.033  1.0
  Nb  Nb2  1  0.500  0.998  0.498  1.0
  Nb  Nb3  1  0.000  0.998  0.998  1.0
  W  W4  1  0.500  0.498  0.498  1.0
  W  W5  1  0.500  0.998  0.998  1.0
  O  O6  1  0.185  0.938  0.252  1.0
  O  O7  1  0.556  0.306  0.250  1.0
  O  O8  1  0.195  0.941  0.880  1.0
  O  O9  1  0.559  0.315  0.619  1.0
  O  O10  1  0.196  0.315  0.256  1.0
  O  O11  1  0.561  0.941  0.245  1.0
  O  O12  1  0.815  0.067  0.752  1.0
  O  O13  1  0.444  0.694  0.750  1.0
  O  O14  1  0.804  0.060  0.119  1.0
  O  O15  1  0.439  0.684  0.380  1.0
  O  O16  1  0.805  0.684  0.745  1.0
  O  O17  1  0.441  0.060  0.756  1.0
[/CIF]
.