Mg2Ti3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing TiO6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing TiO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and one Ti(2) atom to form a mixture of distorted edge and corner-sharing OMg2Ti2 tetrahedra.
Mg2Ti3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. The Mg(1)-O(1) bond length is 2.13 Å. The Mg(1)-O(2) bond length is 2.19 Å. There are two shorter (2.11 Å) and two longer (2.28 Å) Mg(1)-O(3) bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form edge-sharing TiO6 octahedra. Both Ti(1)-O(2) bond lengths are 1.98 Å. All Ti(1)-O(3) bond lengths are 1.97 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing TiO6 octahedra. Both Ti(2)-O(1) bond lengths are 1.90 Å. Both Ti(2)-O(2) bond lengths are 2.09 Å. Both Ti(2)-O(3) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and one Ti(2) atom to form a mixture of distorted edge and corner-sharing OMg2Ti2 tetrahedra.