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.
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. Both Mn(1)-O(2) bond lengths are 1.94 Å. All Mn(1)-O(1) bond lengths are 2.12 Å. 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°. Both Fe(1)-O(1) bond lengths are 1.91 Å. Both Fe(1)-O(2) bond lengths are 1.94 Å. 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. Both Ni(1)-O(1) bond lengths are 2.07 Å. All Ni(1)-O(2) bond lengths are 2.11 Å. 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.