MgTi2O5 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 31-48°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Ti(1) atoms to form OMgTi3 trigonal pyramids that share  a cornercorner with one O(3)Mg2Ti2 trigonal pyramid, corners with three equivalent O(1)MgTi3 trigonal pyramids, edges with two equivalent O(3)Mg2Ti2 trigonal pyramids, and edges with two equivalent O(1)MgTi3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form distorted OMg2Ti2 trigonal pyramids that share corners with two equivalent O(3)Mg2Ti2 trigonal pyramids, corners with two equivalent O(1)MgTi3 trigonal pyramids, and edges with four equivalent O(1)MgTi3 trigonal pyramids.
MgTi2O5 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Mg(1)-O(1) bond lengths are 2.20 Å. Both Mg(1)-O(2) bond lengths are 2.00 Å. Both Mg(1)-O(3) bond lengths are 2.05 Å. Ti(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 31-48°. The Ti(1)-O(3) bond length is 2.01 Å. There is one shorter (1.82 Å) and one longer (1.99 Å) Ti(1)-O(2) bond length. There are two shorter (1.94 Å) and one longer (2.17 Å) Ti(1)-O(1) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Ti(1) atoms to form OMgTi3 trigonal pyramids that share  a cornercorner with one O(3)Mg2Ti2 trigonal pyramid, corners with three equivalent O(1)MgTi3 trigonal pyramids, edges with two equivalent O(3)Mg2Ti2 trigonal pyramids, and edges with two equivalent O(1)MgTi3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form distorted OMg2Ti2 trigonal pyramids that share corners with two equivalent O(3)Mg2Ti2 trigonal pyramids, corners with two equivalent O(1)MgTi3 trigonal pyramids, and edges with four equivalent O(1)MgTi3 trigonal pyramids.