ThTi2O6 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing TiO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Th(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Th(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Th(1) and two equivalent Ti(1) atoms.
ThTi2O6 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Both Th(1)-O(1) bond lengths are 2.32 Å. Both Th(1)-O(2) bond lengths are 2.47 Å. There are two shorter (2.37 Å) and two longer (2.65 Å) Th(1)-O(3) bond lengths. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing TiO6 octahedra. There is one shorter (1.87 Å) and one longer (2.02 Å) Ti(1)-O(1) bond length. There is one shorter (1.93 Å) and one longer (1.95 Å) Ti(1)-O(2) bond length. There is one shorter (2.00 Å) and one longer (2.02 Å) Ti(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Th(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Th(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Th(1) and two equivalent Ti(1) atoms.