The material described by K2NaNbO2F4 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent O(1) and eight equivalent F(1) atoms to form KO4F8 cuboctahedra that share corners with twelve equivalent K(1)O4F8 cuboctahedra, faces with six equivalent K(1)O4F8 cuboctahedra, faces with four equivalent Na(1)O2F4 octahedra, and faces with four equivalent Nb(1)O2F4 octahedra. Na(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form NaO2F4 octahedra that share corners with six equivalent Nb(1)O2F4 octahedra and faces with eight equivalent K(1)O4F8 cuboctahedra. The corner-sharing octahedra are not tilted. Nb(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form NbO2F4 octahedra that share corners with six equivalent Na(1)O2F4 octahedra and faces with eight equivalent K(1)O4F8 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Nb(1) atom. F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_K2NaNb(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   6.084
_cell_length_c   6.084
_cell_angle_alpha   119.250
_cell_angle_beta   119.250
_cell_angle_gamma   91.304
_symmetry_Int_Tables_number   1
_cell_volume   160.979
_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  0.250  0.750  0.500  1.0
  K  K1  1  0.750  0.250  0.500  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Nb  Nb3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.278  0.278  0.000  1.0
  O  O5  1  0.722  0.722  0.000  1.0
  F  F6  1  0.265  0.265  0.531  1.0
  F  F7  1  0.265  0.735  0.000  1.0
  F  F8  1  0.735  0.735  0.469  1.0
  F  F9  1  0.735  0.265  0.000  1.0
[/CIF]
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The material described by K2NaNbO2F4 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent O(1) and eight equivalent F(1) atoms to form KO4F8 cuboctahedra that share corners with twelve equivalent K(1)O4F8 cuboctahedra, faces with six equivalent K(1)O4F8 cuboctahedra, faces with four equivalent Na(1)O2F4 octahedra, and faces with four equivalent Nb(1)O2F4 octahedra. Na(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form NaO2F4 octahedra that share corners with six equivalent Nb(1)O2F4 octahedra and faces with eight equivalent K(1)O4F8 cuboctahedra. The corner-sharing octahedra are not tilted. Nb(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form NbO2F4 octahedra that share corners with six equivalent Na(1)O2F4 octahedra and faces with eight equivalent K(1)O4F8 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Nb(1) atom. F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_K2NaNb(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   6.084
_cell_length_c   6.084
_cell_angle_alpha   119.250
_cell_angle_beta   119.250
_cell_angle_gamma   91.304
_symmetry_Int_Tables_number   1
_cell_volume   160.979
_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  0.250  0.750  0.500  1.0
  K  K1  1  0.750  0.250  0.500  1.0
  Na  Na2  1  0.000  0.000  0.000  1.0
  Nb  Nb3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.278  0.278  0.000  1.0
  O  O5  1  0.722  0.722  0.000  1.0
  F  F6  1  0.265  0.265  0.531  1.0
  F  F7  1  0.265  0.735  0.000  1.0
  F  F8  1  0.735  0.735  0.469  1.0
  F  F9  1  0.735  0.265  0.000  1.0
[/CIF]
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