MgTiFeO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-33°. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-9°. Fe(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Fe(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OMg2TiFe2 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Mg(1), two equivalent Ti(1), and one Fe(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OMg2TiFe2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Ti(1) atoms.
MgTiFeO4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, edges with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-33°. The Mg(1)-O(2) bond length is 2.12 Å. The Mg(1)-O(4) bond length is 2.46 Å. Both Mg(1)-O(1) bond lengths are 2.02 Å. Both Mg(1)-O(3) bond lengths are 2.12 Å. Ti(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, edges with four equivalent Mg(1)O6 octahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-9°. The Ti(1)-O(1) bond length is 2.04 Å. The Ti(1)-O(3) bond length is 1.95 Å. Both Ti(1)-O(2) bond lengths are 2.11 Å. Both Ti(1)-O(4) bond lengths are 1.94 Å. Fe(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form FeO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Fe(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. The Fe(1)-O(2) bond length is 2.04 Å. Both Fe(1)-O(1) bond lengths are 2.11 Å. Both Fe(1)-O(3) bond lengths are 2.10 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OMg2TiFe2 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Mg(1), two equivalent Ti(1), and one Fe(1) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Fe(1) atoms to form a mixture of corner and edge-sharing OMg2TiFe2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Ti(1) atoms.