YTb3 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 Y(1) atoms to form TbTb8Y4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Y4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Y4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Y4 cuboctahedra, edges with eight equivalent Y(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Y4 cuboctahedra, faces with four equivalent Y(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Y4 cuboctahedra. In the second Tb site, Tb(2) is bonded to eight equivalent Tb(1) and four equivalent Y(1) atoms to form TbTb8Y4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Y4 cuboctahedra, corners with eight equivalent Y(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Y4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Y4 cuboctahedra, faces with four equivalent Tb(2)Tb8Y4 cuboctahedra, faces with six equivalent Y(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Y4 cuboctahedra. Y(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form YTb12 cuboctahedra that share corners with four equivalent Y(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Y4 cuboctahedra, edges with eight equivalent Y(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Y4 cuboctahedra, faces with four equivalent Y(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Y4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Y4 cuboctahedra.
YTb3 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 Y(1) atoms to form TbTb8Y4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Y4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Y4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Y4 cuboctahedra, edges with eight equivalent Y(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Y4 cuboctahedra, faces with four equivalent Y(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Y4 cuboctahedra. All Tb(1)-Tb(1) bond lengths are 3.58 Å. All Tb(1)-Tb(2) bond lengths are 3.57 Å. All Tb(1)-Y(1) bond lengths are 3.57 Å. In the second Tb site, Tb(2) is bonded to eight equivalent Tb(1) and four equivalent Y(1) atoms to form TbTb8Y4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Y4 cuboctahedra, corners with eight equivalent Y(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Y4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Y4 cuboctahedra, faces with four equivalent Tb(2)Tb8Y4 cuboctahedra, faces with six equivalent Y(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Y4 cuboctahedra. All Tb(2)-Y(1) bond lengths are 3.58 Å. Y(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form YTb12 cuboctahedra that share corners with four equivalent Y(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Y4 cuboctahedra, edges with eight equivalent Y(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Y4 cuboctahedra, faces with four equivalent Y(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Y4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Y4 cuboctahedra.