MgTi2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-63°. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-36°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms to form distorted OMgTi3 tetrahedra that share corners with two equivalent O(1)MgTi3 tetrahedra,  a cornercorner with one O(2)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid, edges with two equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with two equivalent O(3)MgTi3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Ti(2) atom to form distorted OMg2Ti2 trigonal pyramids that share  a cornercorner with one O(1)MgTi3 tetrahedra,  a cornercorner with one O(3)MgTi3 trigonal pyramid, corners with two equivalent O(2)Mg2Ti2 trigonal pyramids, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with two equivalent O(3)MgTi3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form OMgTi3 trigonal pyramids that share  a cornercorner with one O(1)MgTi3 tetrahedra,  a cornercorner with one O(2)Mg2Ti2 trigonal pyramid, corners with two equivalent O(3)MgTi3 trigonal pyramids, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with two equivalent O(2)Mg2Ti2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Ti(2) atom.
MgTi2O5 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. The Mg(1)-O(1) bond length is 2.26 Å. The Mg(1)-O(3) bond length is 2.27 Å. The Mg(1)-O(4) bond length is 1.98 Å. The Mg(1)-O(5) bond length is 2.11 Å. Both Mg(1)-O(2) bond lengths are 2.00 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-63°. The Ti(1)-O(1) bond length is 2.15 Å. The Ti(1)-O(2) bond length is 2.09 Å. The Ti(1)-O(4) bond length is 1.93 Å. The Ti(1)-O(5) bond length is 1.87 Å. Both Ti(1)-O(3) bond lengths are 1.96 Å. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-36°. The Ti(2)-O(2) bond length is 1.99 Å. The Ti(2)-O(3) bond length is 2.16 Å. The Ti(2)-O(4) bond length is 1.87 Å. The Ti(2)-O(5) bond length is 1.94 Å. Both Ti(2)-O(1) bond lengths are 1.99 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and two equivalent Ti(2) atoms to form distorted OMgTi3 tetrahedra that share corners with two equivalent O(1)MgTi3 tetrahedra,  a cornercorner with one O(2)Mg2Ti2 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid, edges with two equivalent O(2)Mg2Ti2 trigonal pyramids, and edges with two equivalent O(3)MgTi3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Ti(2) atom to form distorted OMg2Ti2 trigonal pyramids that share  a cornercorner with one O(1)MgTi3 tetrahedra,  a cornercorner with one O(3)MgTi3 trigonal pyramid, corners with two equivalent O(2)Mg2Ti2 trigonal pyramids, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with two equivalent O(3)MgTi3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form OMgTi3 trigonal pyramids that share  a cornercorner with one O(1)MgTi3 tetrahedra,  a cornercorner with one O(2)Mg2Ti2 trigonal pyramid, corners with two equivalent O(3)MgTi3 trigonal pyramids, edges with two equivalent O(1)MgTi3 tetrahedra, and edges with two equivalent O(2)Mg2Ti2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Ti(2) atom.