The material structure described by KNa(MoO3)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 Mo(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 Mo(1)O6 octahedra. Mo(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four 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 to two equivalent K(1), two equivalent Na(1), and two equivalent Mo(1) atoms to form distorted OK2Na2Mo2 octahedra that share corners with four equivalent O(2)K4Mo2 octahedra, corners with four equivalent O(3)Na4Mo2 octahedra, corners with fourteen equivalent O(1)K2Na2Mo2 octahedra, edges with four equivalent O(1)K2Na2Mo2 octahedra, faces with two equivalent O(2)K4Mo2 octahedra, faces with two equivalent O(3)Na4Mo2 octahedra, and faces with four equivalent O(1)K2Na2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent K(1) and two equivalent Mo(1) atoms to form distorted OK4Mo2 octahedra that share corners with two equivalent O(3)Na4Mo2 octahedra, corners with four equivalent O(2)K4Mo2 octahedra, corners with sixteen equivalent O(1)K2Na2Mo2 octahedra, edges with four equivalent O(2)K4Mo2 octahedra, and faces with eight equivalent O(1)K2Na2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to four equivalent Na(1) and two equivalent Mo(1) atoms to form distorted ONa4Mo2 octahedra that share corners with two equivalent O(2)K4Mo2 octahedra, corners with four equivalent O(3)Na4Mo2 octahedra, corners with sixteen equivalent O(1)K2Na2Mo2 octahedra, edges with four equivalent O(3)Na4Mo2 octahedra, and faces with eight equivalent O(1)K2Na2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_KNa(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.985
_cell_length_b   3.985
_cell_length_c   7.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.675
_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
  Mo  Mo2  1  0.000  0.000  0.248  1.0
  Mo  Mo3  1  0.000  0.000  0.752  1.0
  O  O4  1  0.500  0.000  0.246  1.0
  O  O5  1  0.500  0.000  0.754  1.0
  O  O6  1  0.000  0.500  0.246  1.0
  O  O7  1  0.000  0.500  0.754  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by KNa(MoO3)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 Mo(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 Mo(1)O6 octahedra. Mo(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four 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 to two equivalent K(1), two equivalent Na(1), and two equivalent Mo(1) atoms to form distorted OK2Na2Mo2 octahedra that share corners with four equivalent O(2)K4Mo2 octahedra, corners with four equivalent O(3)Na4Mo2 octahedra, corners with fourteen equivalent O(1)K2Na2Mo2 octahedra, edges with four equivalent O(1)K2Na2Mo2 octahedra, faces with two equivalent O(2)K4Mo2 octahedra, faces with two equivalent O(3)Na4Mo2 octahedra, and faces with four equivalent O(1)K2Na2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded to four equivalent K(1) and two equivalent Mo(1) atoms to form distorted OK4Mo2 octahedra that share corners with two equivalent O(3)Na4Mo2 octahedra, corners with four equivalent O(2)K4Mo2 octahedra, corners with sixteen equivalent O(1)K2Na2Mo2 octahedra, edges with four equivalent O(2)K4Mo2 octahedra, and faces with eight equivalent O(1)K2Na2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to four equivalent Na(1) and two equivalent Mo(1) atoms to form distorted ONa4Mo2 octahedra that share corners with two equivalent O(2)K4Mo2 octahedra, corners with four equivalent O(3)Na4Mo2 octahedra, corners with sixteen equivalent O(1)K2Na2Mo2 octahedra, edges with four equivalent O(3)Na4Mo2 octahedra, and faces with eight equivalent O(1)K2Na2Mo2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_KNa(MoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.985
_cell_length_b   3.985
_cell_length_c   7.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.675
_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
  Mo  Mo2  1  0.000  0.000  0.248  1.0
  Mo  Mo3  1  0.000  0.000  0.752  1.0
  O  O4  1  0.500  0.000  0.246  1.0
  O  O5  1  0.500  0.000  0.754  1.0
  O  O6  1  0.000  0.500  0.246  1.0
  O  O7  1  0.000  0.500  0.754  1.0
  O  O8  1  0.000  0.000  0.500  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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