The material described by La2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. La(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. O(1) is bonded in a 3-coordinate geometry to three equivalent La(1), one Mn(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_La2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.491
_cell_length_c   5.491
_cell_angle_alpha   61.075
_cell_angle_beta   61.075
_cell_angle_gamma   61.075
_symmetry_Int_Tables_number   1
_cell_volume   119.900
_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  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.691  0.239  0.824  1.0
  O  O5  1  0.239  0.824  0.691  1.0
  O  O6  1  0.824  0.691  0.239  1.0
  O  O7  1  0.761  0.176  0.309  1.0
  O  O8  1  0.176  0.309  0.761  1.0
  O  O9  1  0.309  0.761  0.176  1.0
[/CIF]
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The material described by La2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. La(1) is bonded in a 9-coordinate geometry to nine equivalent O(1) atoms. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. O(1) is bonded in a 3-coordinate geometry to three equivalent La(1), one Mn(1), and one Ni(1) atom. is represented by the CIF file [CIF]
data_La2MnNiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   5.491
_cell_length_c   5.491
_cell_angle_alpha   61.075
_cell_angle_beta   61.075
_cell_angle_gamma   61.075
_symmetry_Int_Tables_number   1
_cell_volume   119.900
_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  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.691  0.239  0.824  1.0
  O  O5  1  0.239  0.824  0.691  1.0
  O  O6  1  0.824  0.691  0.239  1.0
  O  O7  1  0.761  0.176  0.309  1.0
  O  O8  1  0.176  0.309  0.761  1.0
  O  O9  1  0.309  0.761  0.176  1.0
[/CIF]
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