MnFe2O4 crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Fe(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Mn(1) and four equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Fe(1) atoms to form distorted OMn2Fe2 tetrahedra that share corners with two equivalent O(2)Mn2Fe2 tetrahedra, corners with ten equivalent O(3)Mn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)Mn2Fe3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(1) and three equivalent Fe(1) atoms to form distorted OMn2Fe3 trigonal bipyramids that share corners with five equivalent O(2)Mn2Fe2 tetrahedra, corners with two equivalent O(3)Mn2Fe3 trigonal bipyramids,  an edgeedge with one O(2)Mn2Fe2 tetrahedra, and edges with five equivalent O(3)Mn2Fe3 trigonal bipyramids.
MnFe2O4 crystallizes in the orthorhombic Cmcm space group. Mn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Both Mn(1)-O(1) bond lengths are 2.74 Å. Both Mn(1)-O(2) bond lengths are 2.15 Å. All Mn(1)-O(3) bond lengths are 2.36 Å. Fe(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. The Fe(1)-O(2) bond length is 1.98 Å. Both Fe(1)-O(1) bond lengths are 2.12 Å. There are two shorter (2.05 Å) and one longer (2.08 Å) Fe(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to two equivalent Mn(1) and four equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Fe(1) atoms to form distorted OMn2Fe2 tetrahedra that share corners with two equivalent O(2)Mn2Fe2 tetrahedra, corners with ten equivalent O(3)Mn2Fe3 trigonal bipyramids, and edges with two equivalent O(3)Mn2Fe3 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(1) and three equivalent Fe(1) atoms to form distorted OMn2Fe3 trigonal bipyramids that share corners with five equivalent O(2)Mn2Fe2 tetrahedra, corners with two equivalent O(3)Mn2Fe3 trigonal bipyramids,  an edgeedge with one O(2)Mn2Fe2 tetrahedra, and edges with five equivalent O(3)Mn2Fe3 trigonal bipyramids.