MgTi2O4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 75°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-10°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti3 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti3 trigonal bipyramids.
MgTi2O4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 75°. The Mg(1)-O(3) bond length is 1.98 Å. Both Mg(1)-O(2) bond lengths are 2.11 Å. Both Mg(1)-O(4) bond lengths are 2.02 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. The Ti(1)-O(1) bond length is 2.60 Å. The Ti(1)-O(3) bond length is 1.91 Å. Both Ti(1)-O(2) bond lengths are 2.03 Å. Both Ti(1)-O(4) bond lengths are 2.12 Å. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-10°. The Ti(2)-O(2) bond length is 2.21 Å. The Ti(2)-O(4) bond length is 2.04 Å. Both Ti(2)-O(1) bond lengths are 1.96 Å. Both Ti(2)-O(3) bond lengths are 2.11 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti3 trigonal bipyramids. In the third O site, O(3) is bonded in a square co-planar geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OMg2Ti3 trigonal bipyramids.