The material described by K2NaNbO2F4 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. K(1) is bonded to four equivalent O(1), four equivalent F(1), and four equivalent F(2) 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), two equivalent F(1), and two equivalent F(2) 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), two equivalent F(1), and two equivalent F(2) 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. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Nb(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2NaNb(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.090
_cell_length_b   6.090
_cell_length_c   8.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.052
_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  0.000  0.500  0.750  1.0
  K  K1  1  0.500  0.000  0.750  1.0
  K  K2  1  0.500  0.000  0.250  1.0
  K  K3  1  0.000  0.500  0.250  1.0
  Na  Na4  1  0.500  0.500  0.000  1.0
  Na  Na5  1  0.000  0.000  0.500  1.0
  Nb  Nb6  1  0.000  0.000  0.000  1.0
  Nb  Nb7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.221  0.779  0.000  1.0
  O  O9  1  0.279  0.279  0.500  1.0
  O  O10  1  0.721  0.721  0.500  1.0
  O  O11  1  0.779  0.221  0.000  1.0
  F  F12  1  0.737  0.263  0.500  1.0
  F  F13  1  0.000  0.000  0.235  1.0
  F  F14  1  0.000  0.000  0.765  1.0
  F  F15  1  0.237  0.237  0.000  1.0
  F  F16  1  0.500  0.500  0.735  1.0
  F  F17  1  0.500  0.500  0.265  1.0
  F  F18  1  0.763  0.763  0.000  1.0
  F  F19  1  0.263  0.737  0.500  1.0
[/CIF]
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The material described by K2NaNbO2F4 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. K(1) is bonded to four equivalent O(1), four equivalent F(1), and four equivalent F(2) 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), two equivalent F(1), and two equivalent F(2) 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), two equivalent F(1), and two equivalent F(2) 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. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Nb(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2NaNb(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.090
_cell_length_b   6.090
_cell_length_c   8.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.052
_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  0.000  0.500  0.750  1.0
  K  K1  1  0.500  0.000  0.750  1.0
  K  K2  1  0.500  0.000  0.250  1.0
  K  K3  1  0.000  0.500  0.250  1.0
  Na  Na4  1  0.500  0.500  0.000  1.0
  Na  Na5  1  0.000  0.000  0.500  1.0
  Nb  Nb6  1  0.000  0.000  0.000  1.0
  Nb  Nb7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.221  0.779  0.000  1.0
  O  O9  1  0.279  0.279  0.500  1.0
  O  O10  1  0.721  0.721  0.500  1.0
  O  O11  1  0.779  0.221  0.000  1.0
  F  F12  1  0.737  0.263  0.500  1.0
  F  F13  1  0.000  0.000  0.235  1.0
  F  F14  1  0.000  0.000  0.765  1.0
  F  F15  1  0.237  0.237  0.000  1.0
  F  F16  1  0.500  0.500  0.735  1.0
  F  F17  1  0.500  0.500  0.265  1.0
  F  F18  1  0.763  0.763  0.000  1.0
  F  F19  1  0.263  0.737  0.500  1.0
[/CIF]
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