MgTi2O4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Ti(1) atoms to form OMg2Ti3 trigonal bipyramids that share corners with five equivalent O(3)Mg2Ti2 tetrahedra, corners with two equivalent O(1)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(3)Mg2Ti2 tetrahedra, and edges with five equivalent O(1)Mg2Ti3 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form OMg2Ti2 tetrahedra that share corners with two equivalent O(3)Mg2Ti2 tetrahedra, corners with ten equivalent O(1)Mg2Ti3 trigonal bipyramids, and edges with two equivalent O(1)Mg2Ti3 trigonal bipyramids.
MgTi2O4 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(1) atoms. Both Mg(1)-O(3) bond lengths are 2.08 Å. All Mg(1)-O(1) bond lengths are 2.22 Å. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. The Ti(1)-O(3) bond length is 2.01 Å. Both Ti(1)-O(2) bond lengths are 2.03 Å. All Ti(1)-O(1) bond lengths are 2.09 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and three equivalent Ti(1) atoms to form OMg2Ti3 trigonal bipyramids that share corners with five equivalent O(3)Mg2Ti2 tetrahedra, corners with two equivalent O(1)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(3)Mg2Ti2 tetrahedra, and edges with five equivalent O(1)Mg2Ti3 trigonal bipyramids. In the second O site, O(2) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form OMg2Ti2 tetrahedra that share corners with two equivalent O(3)Mg2Ti2 tetrahedra, corners with ten equivalent O(1)Mg2Ti3 trigonal bipyramids, and edges with two equivalent O(1)Mg2Ti3 trigonal bipyramids.