MgTi2(SiO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-72°. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-55°. In the second Si site, Si(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar 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 150 degrees geometry to one Ti(1) and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Si(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ti(1), and one Si(2) atom to form distorted edge-sharing OMgTi2Si tetrahedra.
MgTi2(SiO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-72°. Both Mg(1)-O(1) bond lengths are 1.94 Å. Both Mg(1)-O(4) bond lengths are 2.09 Å. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent Ti(1)O6 octahedra. The Ti(1)-O(1) bond length is 2.03 Å. The Ti(1)-O(2) bond length is 1.89 Å. Both Ti(1)-O(3) bond lengths are 2.02 Å. Both Ti(1)-O(4) bond lengths are 2.36 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-55°. Both Si(1)-O(1) bond lengths are 1.64 Å. Both Si(1)-O(3) bond lengths are 1.65 Å. In the second Si site, Si(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-54°. Both Si(2)-O(2) bond lengths are 1.62 Å. Both Si(2)-O(4) bond lengths are 1.68 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar 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 150 degrees geometry to one Ti(1) and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Si(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Ti(1), and one Si(2) atom to form distorted edge-sharing OMgTi2Si tetrahedra.