ThSm crystallizes in the trigonal R-3m space group. Th(1) is bonded to six equivalent Th(1) and six equivalent Sm(1) atoms to form ThSm6Th6 cuboctahedra that share corners with twelve equivalent Th(1)Sm6Th6 cuboctahedra, edges with twelve equivalent Th(1)Sm6Th6 cuboctahedra, edges with twelve equivalent Sm(1)Sm6Th6 cuboctahedra, faces with six equivalent Th(1)Sm6Th6 cuboctahedra, and faces with twelve equivalent Sm(1)Sm6Th6 cuboctahedra. Sm(1) is bonded to six equivalent Th(1) and six equivalent Sm(1) atoms to form SmSm6Th6 cuboctahedra that share corners with twelve equivalent Sm(1)Sm6Th6 cuboctahedra, edges with twelve equivalent Th(1)Sm6Th6 cuboctahedra, edges with twelve equivalent Sm(1)Sm6Th6 cuboctahedra, faces with six equivalent Sm(1)Sm6Th6 cuboctahedra, and faces with twelve equivalent Th(1)Sm6Th6 cuboctahedra.
ThSm crystallizes in the trigonal R-3m space group. Th(1) is bonded to six equivalent Th(1) and six equivalent Sm(1) atoms to form ThSm6Th6 cuboctahedra that share corners with twelve equivalent Th(1)Sm6Th6 cuboctahedra, edges with twelve equivalent Th(1)Sm6Th6 cuboctahedra, edges with twelve equivalent Sm(1)Sm6Th6 cuboctahedra, faces with six equivalent Th(1)Sm6Th6 cuboctahedra, and faces with twelve equivalent Sm(1)Sm6Th6 cuboctahedra. All Th(1)-Th(1) bond lengths are 3.60 Å. All Th(1)-Sm(1) bond lengths are 3.58 Å. Sm(1) is bonded to six equivalent Th(1) and six equivalent Sm(1) atoms to form SmSm6Th6 cuboctahedra that share corners with twelve equivalent Sm(1)Sm6Th6 cuboctahedra, edges with twelve equivalent Th(1)Sm6Th6 cuboctahedra, edges with twelve equivalent Sm(1)Sm6Th6 cuboctahedra, faces with six equivalent Sm(1)Sm6Th6 cuboctahedra, and faces with twelve equivalent Th(1)Sm6Th6 cuboctahedra. All Sm(1)-Sm(1) bond lengths are 3.60 Å.