ThCeS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Th(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ThS6 octahedra that share corners with six equivalent Th(1)S6 octahedra, edges with four equivalent Th(1)S6 octahedra, and edges with eight equivalent Ce(1)S6 octahedra. The corner-sharing octahedra are not tilted. Ce(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CeS6 octahedra that share corners with six equivalent Ce(1)S6 octahedra, edges with four equivalent Ce(1)S6 octahedra, and edges with eight equivalent Th(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Th(1) and two equivalent Ce(1) atoms to form SCe2Th4 octahedra that share corners with six equivalent S(1)Ce2Th4 octahedra, edges with four equivalent S(1)Ce2Th4 octahedra, and edges with eight equivalent S(2)Ce4Th2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent Th(1) and four equivalent Ce(1) atoms to form SCe4Th2 octahedra that share corners with six equivalent S(2)Ce4Th2 octahedra, edges with four equivalent S(2)Ce4Th2 octahedra, and edges with eight equivalent S(1)Ce2Th4 octahedra. The corner-sharing octahedra are not tilted.
ThCeS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Th(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ThS6 octahedra that share corners with six equivalent Th(1)S6 octahedra, edges with four equivalent Th(1)S6 octahedra, and edges with eight equivalent Ce(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both Th(1)-S(2) bond lengths are 2.87 Å. All Th(1)-S(1) bond lengths are 2.88 Å. Ce(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CeS6 octahedra that share corners with six equivalent Ce(1)S6 octahedra, edges with four equivalent Ce(1)S6 octahedra, and edges with eight equivalent Th(1)S6 octahedra. The corner-sharing octahedra are not tilted. Both Ce(1)-S(1) bond lengths are 2.87 Å. All Ce(1)-S(2) bond lengths are 2.88 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Th(1) and two equivalent Ce(1) atoms to form SCe2Th4 octahedra that share corners with six equivalent S(1)Ce2Th4 octahedra, edges with four equivalent S(1)Ce2Th4 octahedra, and edges with eight equivalent S(2)Ce4Th2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to two equivalent Th(1) and four equivalent Ce(1) atoms to form SCe4Th2 octahedra that share corners with six equivalent S(2)Ce4Th2 octahedra, edges with four equivalent S(2)Ce4Th2 octahedra, and edges with eight equivalent S(1)Ce2Th4 octahedra. The corner-sharing octahedra are not tilted.