ThY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to twelve equivalent Y(1) atoms to form ThY12 cuboctahedra that share corners with six equivalent Th(1)Y12 cuboctahedra, corners with twelve equivalent Y(1)Y8Th4 cuboctahedra, edges with eighteen equivalent Y(1)Y8Th4 cuboctahedra, faces with eight equivalent Th(1)Y12 cuboctahedra, and faces with twelve equivalent Y(1)Y8Th4 cuboctahedra. Y(1) is bonded to four equivalent Th(1) and eight equivalent Y(1) atoms to form YY8Th4 cuboctahedra that share corners with four equivalent Th(1)Y12 cuboctahedra, corners with fourteen equivalent Y(1)Y8Th4 cuboctahedra, edges with six equivalent Th(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y8Th4 cuboctahedra, faces with four equivalent Th(1)Y12 cuboctahedra, and faces with sixteen equivalent Y(1)Y8Th4 cuboctahedra.
ThY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to twelve equivalent Y(1) atoms to form ThY12 cuboctahedra that share corners with six equivalent Th(1)Y12 cuboctahedra, corners with twelve equivalent Y(1)Y8Th4 cuboctahedra, edges with eighteen equivalent Y(1)Y8Th4 cuboctahedra, faces with eight equivalent Th(1)Y12 cuboctahedra, and faces with twelve equivalent Y(1)Y8Th4 cuboctahedra. There are six shorter (3.58 Å) and six longer (3.64 Å) Th(1)-Y(1) bond lengths. Y(1) is bonded to four equivalent Th(1) and eight equivalent Y(1) atoms to form YY8Th4 cuboctahedra that share corners with four equivalent Th(1)Y12 cuboctahedra, corners with fourteen equivalent Y(1)Y8Th4 cuboctahedra, edges with six equivalent Th(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y8Th4 cuboctahedra, faces with four equivalent Th(1)Y12 cuboctahedra, and faces with sixteen equivalent Y(1)Y8Th4 cuboctahedra. There are a spread of Y(1)-Y(1) bond distances ranging from 3.60-3.68 Å.