The compound described by KNbWO6 crystallizes in the orthorhombic Ima2 space group. K(1) is bonded in a 3-coordinate geometry to one O(1) 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 34-43°. 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 34-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one 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 bent 150 degrees geometry to 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 CIF card [CIF]
data_KNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.456
_cell_length_b   7.456
_cell_length_c   7.456
_cell_angle_alpha   120.110
_cell_angle_beta   120.062
_cell_angle_gamma   89.851
_symmetry_Int_Tables_number   1
_cell_volume   292.758
_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  0.595  0.417  0.322  1.0
  K  K1  1  0.405  0.727  0.822  1.0
  Nb  Nb2  1  0.500  0.010  0.510  1.0
  Nb  Nb3  1  0.000  0.010  0.010  1.0
  W  W4  1  0.996  0.004  0.508  1.0
  W  W5  1  0.004  0.513  0.008  1.0
  O  O6  1  0.685  0.926  0.742  1.0
  O  O7  1  0.058  0.307  0.748  1.0
  O  O8  1  0.061  0.314  0.119  1.0
  O  O9  1  0.693  0.933  0.371  1.0
  O  O10  1  0.062  0.933  0.740  1.0
  O  O11  1  0.696  0.314  0.753  1.0
  O  O12  1  0.315  0.057  0.242  1.0
  O  O13  1  0.942  0.690  0.248  1.0
  O  O14  1  0.938  0.679  0.871  1.0
  O  O15  1  0.304  0.057  0.619  1.0
  O  O16  1  0.939  0.057  0.253  1.0
  O  O17  1  0.307  0.679  0.240  1.0
[/CIF]
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The compound described by KNbWO6 crystallizes in the orthorhombic Ima2 space group. K(1) is bonded in a 3-coordinate geometry to one O(1) 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 34-43°. 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 34-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one 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 bent 150 degrees geometry to 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 CIF card [CIF]
data_KNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.456
_cell_length_b   7.456
_cell_length_c   7.456
_cell_angle_alpha   120.110
_cell_angle_beta   120.062
_cell_angle_gamma   89.851
_symmetry_Int_Tables_number   1
_cell_volume   292.758
_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  0.595  0.417  0.322  1.0
  K  K1  1  0.405  0.727  0.822  1.0
  Nb  Nb2  1  0.500  0.010  0.510  1.0
  Nb  Nb3  1  0.000  0.010  0.010  1.0
  W  W4  1  0.996  0.004  0.508  1.0
  W  W5  1  0.004  0.513  0.008  1.0
  O  O6  1  0.685  0.926  0.742  1.0
  O  O7  1  0.058  0.307  0.748  1.0
  O  O8  1  0.061  0.314  0.119  1.0
  O  O9  1  0.693  0.933  0.371  1.0
  O  O10  1  0.062  0.933  0.740  1.0
  O  O11  1  0.696  0.314  0.753  1.0
  O  O12  1  0.315  0.057  0.242  1.0
  O  O13  1  0.942  0.690  0.248  1.0
  O  O14  1  0.938  0.679  0.871  1.0
  O  O15  1  0.304  0.057  0.619  1.0
  O  O16  1  0.939  0.057  0.253  1.0
  O  O17  1  0.307  0.679  0.240  1.0
[/CIF]
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