MgTi2(SiO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) 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(1) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ti(2)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ti(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted SiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(2) and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Si(1) atom.
MgTi2(SiO4)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. Both Mg(1)-O(1) bond lengths are 2.32 Å. All Mg(1)-O(3) bond lengths are 2.10 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ti(2)O6 octahedra. Both Ti(1)-O(1) bond lengths are 1.93 Å. All Ti(1)-O(3) bond lengths are 2.25 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ti(1)O6 octahedra. Both Ti(2)-O(2) bond lengths are 1.94 Å. All Ti(2)-O(3) bond lengths are 2.16 Å. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted SiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. The Si(1)-O(1) bond length is 1.64 Å. The Si(1)-O(2) bond length is 1.58 Å. Both Si(1)-O(3) bond lengths are 1.70 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(2) and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Si(1) atom.