ThCe2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. Th(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Th(1) and two equivalent Ce(1) atoms to form OCe2Th2 tetrahedra that share corners with four equivalent O(1)Ce2Th2 tetrahedra, corners with twelve equivalent O(2)Ce3Th tetrahedra, edges with two equivalent O(1)Ce2Th2 tetrahedra, and edges with four equivalent O(2)Ce3Th tetrahedra. In the second O site, O(2) is bonded to one Th(1) and three equivalent Ce(1) atoms to form OCe3Th tetrahedra that share corners with six equivalent O(1)Ce2Th2 tetrahedra, corners with ten equivalent O(2)Ce3Th tetrahedra, edges with two equivalent O(1)Ce2Th2 tetrahedra, and edges with four equivalent O(2)Ce3Th tetrahedra.
ThCe2O6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. Th(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Th(1)-O(1) bond lengths are 2.40 Å. All Th(1)-O(2) bond lengths are 2.41 Å. Ce(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. Both Ce(1)-O(1) bond lengths are 2.37 Å. There are two shorter (2.35 Å) and four longer (2.37 Å) Ce(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Th(1) and two equivalent Ce(1) atoms to form OCe2Th2 tetrahedra that share corners with four equivalent O(1)Ce2Th2 tetrahedra, corners with twelve equivalent O(2)Ce3Th tetrahedra, edges with two equivalent O(1)Ce2Th2 tetrahedra, and edges with four equivalent O(2)Ce3Th tetrahedra. In the second O site, O(2) is bonded to one Th(1) and three equivalent Ce(1) atoms to form OCe3Th tetrahedra that share corners with six equivalent O(1)Ce2Th2 tetrahedra, corners with ten equivalent O(2)Ce3Th tetrahedra, edges with two equivalent O(1)Ce2Th2 tetrahedra, and edges with four equivalent O(2)Ce3Th tetrahedra.