The structure described by La2NiMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. 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 La(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and faces with eight 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 Mn(1)O6 octahedra and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Mn(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_La2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.498
_cell_length_b   5.498
_cell_length_c   5.498
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   117.524
_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
  La  La0  1  0.250  0.250  0.250  1.0
  La  La1  1  0.750  0.750  0.750  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.744  0.744  0.256  1.0
  O  O5  1  0.256  0.744  0.256  1.0
  O  O6  1  0.744  0.256  0.256  1.0
  O  O7  1  0.256  0.256  0.744  1.0
  O  O8  1  0.744  0.256  0.744  1.0
  O  O9  1  0.256  0.744  0.744  1.0
[/CIF]
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The structure described by La2NiMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. 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 La(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and faces with eight 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 Mn(1)O6 octahedra and faces with eight equivalent La(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Mn(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_La2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.498
_cell_length_b   5.498
_cell_length_c   5.498
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   117.524
_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
  La  La0  1  0.250  0.250  0.250  1.0
  La  La1  1  0.750  0.750  0.750  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.744  0.744  0.256  1.0
  O  O5  1  0.256  0.744  0.256  1.0
  O  O6  1  0.744  0.256  0.256  1.0
  O  O7  1  0.256  0.256  0.744  1.0
  O  O8  1  0.744  0.256  0.744  1.0
  O  O9  1  0.256  0.744  0.744  1.0
[/CIF]
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