The material structure described by NiFeMnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(1), one Fe(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Mn(1), one Fe(1), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OMnFeNi2 trigonal pyramids. is represented by the CIF card [CIF]
data_MnFeNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.971
_cell_length_b   5.971
_cell_length_c   5.971
_cell_angle_alpha   118.967
_cell_angle_beta   118.090
_cell_angle_gamma   92.570
_symmetry_Int_Tables_number   1
_cell_volume   153.703
_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  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.382  0.132  0.250  1.0
  Fe  Fe3  1  0.618  0.868  0.750  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.749  0.740  0.491  1.0
  O  O7  1  0.749  0.259  0.009  1.0
  O  O8  1  0.224  0.735  0.489  1.0
  O  O9  1  0.747  0.735  0.011  1.0
  O  O10  1  0.251  0.260  0.509  1.0
  O  O11  1  0.251  0.741  0.991  1.0
  O  O12  1  0.776  0.265  0.511  1.0
  O  O13  1  0.253  0.265  0.989  1.0
[/CIF]
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The material structure described by NiFeMnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form FeO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(1), one Fe(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Mn(1), one Fe(1), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OMnFeNi2 trigonal pyramids. is represented by the CIF card [CIF]
data_MnFeNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.971
_cell_length_b   5.971
_cell_length_c   5.971
_cell_angle_alpha   118.967
_cell_angle_beta   118.090
_cell_angle_gamma   92.570
_symmetry_Int_Tables_number   1
_cell_volume   153.703
_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  0.000  0.500  0.500  1.0
  Fe  Fe2  1  0.382  0.132  0.250  1.0
  Fe  Fe3  1  0.618  0.868  0.750  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.749  0.740  0.491  1.0
  O  O7  1  0.749  0.259  0.009  1.0
  O  O8  1  0.224  0.735  0.489  1.0
  O  O9  1  0.747  0.735  0.011  1.0
  O  O10  1  0.251  0.260  0.509  1.0
  O  O11  1  0.251  0.741  0.991  1.0
  O  O12  1  0.776  0.265  0.511  1.0
  O  O13  1  0.253  0.265  0.989  1.0
[/CIF]
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