Materials Data on Ba3Tb by Materials Project
Ba3Tb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Tb atoms to form distorted BaBa8Tb4 cuboctahedra that share corners with four equivalent TbBa12 cuboctahedra, corners with fourteen equivalent BaBa8Tb4 cuboctahedra, edges with six equivalent TbBa12 cuboctahedra, edges with twelve equivalent BaBa8Tb4 cuboctahedra, faces with four equivalent TbBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Tb4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.07–4.34 Å. There are two shorter (4.12 Å) and two longer (4.21 Å) Ba–Tb bond lengths. Tb is bonded to twelve equivalent Ba atoms to form TbBa12 cuboctahedra that share corners with six equivalent TbBa12 cuboctahedra, corners with twelve equivalent BaBa8Tb4 cuboctahedra, edges with eighteen equivalent BaBa8Tb4 cuboctahedra, faces with eight equivalent TbBa12 cuboctahedra, and faces with twelve equivalent BaBa8Tb4 cuboctahedra.