Mg2TiO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with six equivalent Mg(2)O6 octahedra and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the second Mg site, Mg(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mg(2), and one Ti(1) atom.
Mg2TiO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with six equivalent Mg(2)O6 octahedra and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. Both Mg(1)-O(1) bond lengths are 2.03 Å. Both Mg(1)-O(2) bond lengths are 1.98 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. Both Mg(2)-O(1) bond lengths are 2.13 Å. All Mg(2)-O(2) bond lengths are 2.07 Å. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mg(2)O6 octahedra. Both Ti(1)-O(2) bond lengths are 1.94 Å. All Ti(1)-O(1) bond lengths are 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mg(2), and one Ti(1) atom.