The material described by NiMn2O4 is Spinel structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.211
_cell_length_b   6.211
_cell_length_c   6.211
_cell_angle_alpha   124.537
_cell_angle_beta   123.426
_cell_angle_gamma   83.234
_symmetry_Int_Tables_number   1
_cell_volume   158.015
_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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Ni  Ni4  1  0.880  0.130  0.750  1.0
  Ni  Ni5  1  0.120  0.870  0.250  1.0
  O  O6  1  0.725  0.749  0.976  1.0
  O  O7  1  0.749  0.270  0.021  1.0
  O  O8  1  0.728  0.251  0.476  1.0
  O  O9  1  0.749  0.728  0.479  1.0
  O  O10  1  0.272  0.749  0.524  1.0
  O  O11  1  0.251  0.272  0.521  1.0
  O  O12  1  0.275  0.251  0.024  1.0
  O  O13  1  0.251  0.730  0.979  1.0
[/CIF]
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The material described by NiMn2O4 is Spinel structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), two equivalent Mn(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.211
_cell_length_b   6.211
_cell_length_c   6.211
_cell_angle_alpha   124.537
_cell_angle_beta   123.426
_cell_angle_gamma   83.234
_symmetry_Int_Tables_number   1
_cell_volume   158.015
_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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Ni  Ni4  1  0.880  0.130  0.750  1.0
  Ni  Ni5  1  0.120  0.870  0.250  1.0
  O  O6  1  0.725  0.749  0.976  1.0
  O  O7  1  0.749  0.270  0.021  1.0
  O  O8  1  0.728  0.251  0.476  1.0
  O  O9  1  0.749  0.728  0.479  1.0
  O  O10  1  0.272  0.749  0.524  1.0
  O  O11  1  0.251  0.272  0.521  1.0
  O  O12  1  0.275  0.251  0.024  1.0
  O  O13  1  0.251  0.730  0.979  1.0
[/CIF]
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