Tb3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Sc(1) atoms to form TbTb8Sc4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Sc4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Sc4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Sc4 cuboctahedra, faces with four equivalent Sc(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Sc4 cuboctahedra. In the second Tb site, Tb(2) is bonded to eight equivalent Tb(1) and four equivalent Sc(1) atoms to form TbTb8Sc4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Sc4 cuboctahedra, faces with four equivalent Tb(2)Tb8Sc4 cuboctahedra, faces with six equivalent Sc(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Sc4 cuboctahedra. Sc(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form ScTb12 cuboctahedra that share corners with four equivalent Sc(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Sc4 cuboctahedra, faces with four equivalent Sc(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Sc4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Sc4 cuboctahedra.
Tb3Sc is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Sc(1) atoms to form TbTb8Sc4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Sc4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Sc4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Sc4 cuboctahedra, faces with four equivalent Sc(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Sc4 cuboctahedra. All Tb(1)-Tb(1) bond lengths are 3.52 Å. All Tb(1)-Tb(2) bond lengths are 3.48 Å. All Tb(1)-Sc(1) bond lengths are 3.48 Å. In the second Tb site, Tb(2) is bonded to eight equivalent Tb(1) and four equivalent Sc(1) atoms to form TbTb8Sc4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Sc4 cuboctahedra, corners with eight equivalent Sc(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Sc4 cuboctahedra, faces with four equivalent Tb(2)Tb8Sc4 cuboctahedra, faces with six equivalent Sc(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Sc4 cuboctahedra. All Tb(2)-Sc(1) bond lengths are 3.52 Å. Sc(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form ScTb12 cuboctahedra that share corners with four equivalent Sc(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Sc4 cuboctahedra, edges with eight equivalent Sc(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Sc4 cuboctahedra, faces with four equivalent Sc(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Sc4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Sc4 cuboctahedra.