TbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form TbY12 cuboctahedra that share corners with four equivalent Tb(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Tb4Y8 cuboctahedra, edges with eight equivalent Tb(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Tb4Y8 cuboctahedra, faces with four equivalent Tb(1)Y12 cuboctahedra, faces with six equivalent Y(2)Tb4Y8 cuboctahedra, and faces with eight equivalent Y(1)Tb4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Tb(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YTb4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Tb4Y8 cuboctahedra, edges with eight equivalent Tb(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Tb4Y8 cuboctahedra, edges with eight equivalent Y(2)Tb4Y8 cuboctahedra, faces with four equivalent Tb(1)Y12 cuboctahedra, faces with four equivalent Y(2)Tb4Y8 cuboctahedra, and faces with ten equivalent Y(1)Tb4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Tb(1) and eight equivalent Y(1) atoms to form YTb4Y8 cuboctahedra that share corners with four equivalent Y(2)Tb4Y8 cuboctahedra, corners with eight equivalent Tb(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Tb4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Tb4Y8 cuboctahedra, faces with four equivalent Y(2)Tb4Y8 cuboctahedra, faces with six equivalent Tb(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Tb4Y8 cuboctahedra.
TbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Tb(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form TbY12 cuboctahedra that share corners with four equivalent Tb(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Tb4Y8 cuboctahedra, edges with eight equivalent Tb(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Tb4Y8 cuboctahedra, faces with four equivalent Tb(1)Y12 cuboctahedra, faces with six equivalent Y(2)Tb4Y8 cuboctahedra, and faces with eight equivalent Y(1)Tb4Y8 cuboctahedra. All Tb(1)-Y(2) bond lengths are 3.61 Å. All Tb(1)-Y(1) bond lengths are 3.59 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Tb(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YTb4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Tb4Y8 cuboctahedra, edges with eight equivalent Tb(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Tb4Y8 cuboctahedra, edges with eight equivalent Y(2)Tb4Y8 cuboctahedra, faces with four equivalent Tb(1)Y12 cuboctahedra, faces with four equivalent Y(2)Tb4Y8 cuboctahedra, and faces with ten equivalent Y(1)Tb4Y8 cuboctahedra. All Y(1)-Y(1) bond lengths are 3.61 Å. All Y(1)-Y(2) bond lengths are 3.59 Å. In the second Y site, Y(2) is bonded to four equivalent Tb(1) and eight equivalent Y(1) atoms to form YTb4Y8 cuboctahedra that share corners with four equivalent Y(2)Tb4Y8 cuboctahedra, corners with eight equivalent Tb(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Tb4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Tb4Y8 cuboctahedra, faces with four equivalent Y(2)Tb4Y8 cuboctahedra, faces with six equivalent Tb(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Tb4Y8 cuboctahedra.