The material structure described by KLaNbNiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. K(1) is bonded to twelve equivalent O(1) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. La(1) is bonded to twelve equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent La(1), one Nb(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_KLaNbNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   5.626
_cell_length_c   5.626
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   125.920
_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  0.750  0.750  0.750  1.0
  La  La1  1  0.250  0.250  0.250  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.750  0.250  0.250  1.0
  O  O5  1  0.250  0.750  0.750  1.0
  O  O6  1  0.750  0.250  0.750  1.0
  O  O7  1  0.250  0.750  0.250  1.0
  O  O8  1  0.750  0.750  0.250  1.0
  O  O9  1  0.250  0.250  0.750  1.0
[/CIF]
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The material structure described by KLaNbNiO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic F-43m space group. K(1) is bonded to twelve equivalent O(1) atoms to form KO12 cuboctahedra that share corners with twelve equivalent K(1)O12 cuboctahedra, faces with six equivalent La(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. La(1) is bonded to twelve equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with twelve equivalent La(1)O12 cuboctahedra, faces with six equivalent K(1)O12 cuboctahedra, faces with four equivalent Nb(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with four equivalent K(1)O12 cuboctahedra, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent La(1), one Nb(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_KLaNbNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.626
_cell_length_b   5.626
_cell_length_c   5.626
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   125.920
_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  0.750  0.750  0.750  1.0
  La  La1  1  0.250  0.250  0.250  1.0
  Nb  Nb2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.750  0.250  0.250  1.0
  O  O5  1  0.250  0.750  0.750  1.0
  O  O6  1  0.750  0.250  0.750  1.0
  O  O7  1  0.250  0.750  0.250  1.0
  O  O8  1  0.750  0.750  0.250  1.0
  O  O9  1  0.250  0.250  0.750  1.0
[/CIF]
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