The material structure described by KNa(BiO3)2 is (Cubic) Perovskite-derived structured and 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, faces with two equivalent Na(1)O12 cuboctahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with eight equivalent Bi(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, faces with two equivalent K(1)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Bi(1)O6 octahedra. Bi(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent Na(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to four equivalent K(1) and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OK4Bi2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a linear geometry to four equivalent Na(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNa(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.255
_cell_length_b   4.255
_cell_length_c   8.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.426
_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  0.500  0.500  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.000  0.000  0.751  1.0
  Bi  Bi3  1  0.000  0.000  0.249  1.0
  O  O4  1  0.500  0.000  0.751  1.0
  O  O5  1  0.500  0.000  0.249  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.500  0.751  1.0
  O  O9  1  0.000  0.500  0.249  1.0
[/CIF]
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The material structure described by KNa(BiO3)2 is (Cubic) Perovskite-derived structured and 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, faces with two equivalent Na(1)O12 cuboctahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with eight equivalent Bi(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, faces with two equivalent K(1)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Bi(1)O6 octahedra. Bi(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent Na(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to four equivalent K(1) and two equivalent Bi(1) atoms to form a mixture of distorted edge and corner-sharing OK4Bi2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a linear geometry to four equivalent Na(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNa(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.255
_cell_length_b   4.255
_cell_length_c   8.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.426
_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  0.500  0.500  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Bi  Bi2  1  0.000  0.000  0.751  1.0
  Bi  Bi3  1  0.000  0.000  0.249  1.0
  O  O4  1  0.500  0.000  0.751  1.0
  O  O5  1  0.500  0.000  0.249  1.0
  O  O6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.000  0.500  0.751  1.0
  O  O9  1  0.000  0.500  0.249  1.0
[/CIF]
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