The crystal structure described by KNa(WO3)4 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with eight equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent W(1)O6 octahedra. Na(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent K(1)O12 cuboctahedra, and faces with eight equivalent W(1)O6 octahedra. W(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one K(1), one Na(1), and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent K(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_KNa(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.546
_cell_length_b   5.546
_cell_length_c   7.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.368
_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  0.000  0.000  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  W  W2  1  0.000  0.500  0.751  1.0
  W  W3  1  0.000  0.500  0.249  1.0
  W  W4  1  0.500  0.000  0.751  1.0
  W  W5  1  0.500  0.000  0.249  1.0
  O  O6  1  0.252  0.252  0.752  1.0
  O  O7  1  0.252  0.252  0.248  1.0
  O  O8  1  0.748  0.748  0.248  1.0
  O  O9  1  0.748  0.748  0.752  1.0
  O  O10  1  0.748  0.252  0.248  1.0
  O  O11  1  0.748  0.252  0.752  1.0
  O  O12  1  0.252  0.748  0.248  1.0
  O  O13  1  0.252  0.748  0.752  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by KNa(WO3)4 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with eight equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent W(1)O6 octahedra. Na(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent K(1)O12 cuboctahedra, and faces with eight equivalent W(1)O6 octahedra. W(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent K(1)O12 cuboctahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one K(1), one Na(1), and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent K(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_KNa(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.546
_cell_length_b   5.546
_cell_length_c   7.849
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.368
_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  0.000  0.000  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  W  W2  1  0.000  0.500  0.751  1.0
  W  W3  1  0.000  0.500  0.249  1.0
  W  W4  1  0.500  0.000  0.751  1.0
  W  W5  1  0.500  0.000  0.249  1.0
  O  O6  1  0.252  0.252  0.752  1.0
  O  O7  1  0.252  0.252  0.248  1.0
  O  O8  1  0.748  0.748  0.248  1.0
  O  O9  1  0.748  0.748  0.752  1.0
  O  O10  1  0.748  0.252  0.248  1.0
  O  O11  1  0.748  0.252  0.752  1.0
  O  O12  1  0.252  0.748  0.248  1.0
  O  O13  1  0.252  0.748  0.752  1.0
  O  O14  1  0.000  0.500  0.500  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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