LiTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Tb(1) atoms to form LiTb12 cuboctahedra that share corners with six equivalent Li(1)Tb12 cuboctahedra, corners with twelve equivalent Tb(1)Li4Tb8 cuboctahedra, edges with eighteen equivalent Tb(1)Li4Tb8 cuboctahedra, faces with eight equivalent Li(1)Tb12 cuboctahedra, and faces with twelve equivalent Tb(1)Li4Tb8 cuboctahedra. Tb(1) is bonded to four equivalent Li(1) and eight equivalent Tb(1) atoms to form TbLi4Tb8 cuboctahedra that share corners with four equivalent Li(1)Tb12 cuboctahedra, corners with fourteen equivalent Tb(1)Li4Tb8 cuboctahedra, edges with six equivalent Li(1)Tb12 cuboctahedra, edges with twelve equivalent Tb(1)Li4Tb8 cuboctahedra, faces with four equivalent Li(1)Tb12 cuboctahedra, and faces with sixteen equivalent Tb(1)Li4Tb8 cuboctahedra.
LiTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to twelve equivalent Tb(1) atoms to form LiTb12 cuboctahedra that share corners with six equivalent Li(1)Tb12 cuboctahedra, corners with twelve equivalent Tb(1)Li4Tb8 cuboctahedra, edges with eighteen equivalent Tb(1)Li4Tb8 cuboctahedra, faces with eight equivalent Li(1)Tb12 cuboctahedra, and faces with twelve equivalent Tb(1)Li4Tb8 cuboctahedra. There are six shorter (3.42 Å) and six longer (3.51 Å) Li(1)-Tb(1) bond lengths. Tb(1) is bonded to four equivalent Li(1) and eight equivalent Tb(1) atoms to form TbLi4Tb8 cuboctahedra that share corners with four equivalent Li(1)Tb12 cuboctahedra, corners with fourteen equivalent Tb(1)Li4Tb8 cuboctahedra, edges with six equivalent Li(1)Tb12 cuboctahedra, edges with twelve equivalent Tb(1)Li4Tb8 cuboctahedra, faces with four equivalent Li(1)Tb12 cuboctahedra, and faces with sixteen equivalent Tb(1)Li4Tb8 cuboctahedra. There are a spread of Tb(1)-Tb(1) bond distances ranging from 3.45-3.56 Å.