MgTi5O10 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are three inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-48°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) 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,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-51°. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) 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(2)MgTi3 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid, corners with two equivalent O(5)Ti4 trigonal pyramids,  an edgeedge with one O(2)MgTi3 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid,  an edgeedge with one O(6)MgTi3 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Ti(3), and two equivalent Ti(1) atoms to form distorted OMgTi3 trigonal pyramids that share corners with two equivalent O(2)MgTi3 trigonal pyramids, corners with two equivalent O(6)MgTi3 trigonal pyramids, edges with two equivalent O(2)MgTi3 trigonal pyramids, and edges with two equivalent O(5)Ti4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(3), and two equivalent Ti(2) atoms to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(6)MgTi3 trigonal pyramid,  a cornercorner with one O(5)Ti4 trigonal pyramid, corners with two equivalent O(2)MgTi3 trigonal pyramids,  an edgeedge with one O(2)MgTi3 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid,  an edgeedge with one O(6)MgTi3 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(3), and two equivalent Ti(2) atoms to form distorted OMgTi3 trigonal pyramids that share corners with two equivalent O(3)MgTi3 trigonal pyramids, corners with two equivalent O(5)Ti4 trigonal pyramids, edges with two equivalent O(2)MgTi3 trigonal pyramids, and edges with two equivalent O(5)Ti4 trigonal pyramids.
MgTi5O10 crystallizes in the monoclinic P2_1/m space group. Mg(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted MgO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. The Mg(1)-O(3) bond length is 2.09 Å. The Mg(1)-O(6) bond length is 2.10 Å. Both Mg(1)-O(1) bond lengths are 2.00 Å. Both Mg(1)-O(2) bond lengths are 2.16 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-48°. The Ti(1)-O(1) bond length is 1.96 Å. The Ti(1)-O(3) bond length is 2.06 Å. The Ti(1)-O(4) bond length is 1.90 Å. The Ti(1)-O(5) bond length is 1.98 Å. There is one shorter (1.95 Å) and one longer (2.13 Å) Ti(1)-O(2) bond length. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) 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,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-51°. The Ti(2)-O(1) bond length is 1.82 Å. The Ti(2)-O(2) bond length is 1.95 Å. The Ti(2)-O(4) bond length is 2.02 Å. The Ti(2)-O(6) bond length is 2.05 Å. There is one shorter (1.97 Å) and one longer (2.16 Å) Ti(2)-O(5) bond length. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The Ti(3)-O(3) bond length is 2.01 Å. The Ti(3)-O(6) bond length is 2.01 Å. Both Ti(3)-O(4) bond lengths are 1.94 Å. Both Ti(3)-O(5) bond lengths are 2.13 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) 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(2)MgTi3 trigonal pyramid,  a cornercorner with one O(3)MgTi3 trigonal pyramid, corners with two equivalent O(5)Ti4 trigonal pyramids,  an edgeedge with one O(2)MgTi3 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid,  an edgeedge with one O(6)MgTi3 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Ti(3), and two equivalent Ti(1) atoms to form distorted OMgTi3 trigonal pyramids that share corners with two equivalent O(2)MgTi3 trigonal pyramids, corners with two equivalent O(6)MgTi3 trigonal pyramids, edges with two equivalent O(2)MgTi3 trigonal pyramids, and edges with two equivalent O(5)Ti4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(3), and two equivalent Ti(2) atoms to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(6)MgTi3 trigonal pyramid,  a cornercorner with one O(5)Ti4 trigonal pyramid, corners with two equivalent O(2)MgTi3 trigonal pyramids,  an edgeedge with one O(2)MgTi3 trigonal pyramid,  an edgeedge with one O(3)MgTi3 trigonal pyramid,  an edgeedge with one O(6)MgTi3 trigonal pyramid, and  an edgeedge with one O(5)Ti4 trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(3), and two equivalent Ti(2) atoms to form distorted OMgTi3 trigonal pyramids that share corners with two equivalent O(3)MgTi3 trigonal pyramids, corners with two equivalent O(5)Ti4 trigonal pyramids, edges with two equivalent O(2)MgTi3 trigonal pyramids, and edges with two equivalent O(5)Ti4 trigonal pyramids.