MnFe5O8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with six equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1) and three equivalent O(2) atoms to form FeO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Fe(2)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 one Fe(1) and three equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Fe(1), and two equivalent Fe(2) atoms.
MnFe5O8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra and edges with six equivalent Fe(2)O6 octahedra. All Mn(1)-O(2) bond lengths are 2.18 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1) and three equivalent O(2) atoms to form FeO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with nine equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. The Fe(1)-O(1) bond length is 1.98 Å. All Fe(1)-O(2) bond lengths are 1.93 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. Both Fe(2)-O(1) bond lengths are 2.11 Å. All Fe(2)-O(2) bond lengths are 2.08 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1) and three equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Fe(1), and two equivalent Fe(2) atoms.