Materials Data on LaTb3 by Materials Project
Tb3La is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded to eight equivalent Tb and four equivalent La atoms to form TbLa4Tb8 cuboctahedra that share corners with four equivalent LaTb12 cuboctahedra, corners with fourteen TbLa4Tb8 cuboctahedra, edges with six equivalent LaTb12 cuboctahedra, edges with twelve equivalent TbLa4Tb8 cuboctahedra, faces with four equivalent LaTb12 cuboctahedra, and faces with sixteen TbLa4Tb8 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.58–3.70 Å. There are two shorter (3.61 Å) and two longer (3.66 Å) Tb–La bond lengths. In the second Tb site, Tb is bonded to eight Tb and four equivalent La atoms to form TbLa4Tb8 cuboctahedra that share corners with four equivalent LaTb12 cuboctahedra, corners with fourteen TbLa4Tb8 cuboctahedra, edges with six equivalent LaTb12 cuboctahedra, edges with twelve TbLa4Tb8 cuboctahedra, faces with four equivalent LaTb12 cuboctahedra, and faces with sixteen TbLa4Tb8 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.58–3.70 Å. There are two shorter (3.61 Å) and two longer (3.66 Å) Tb–La bond lengths. In the third Tb site, Tb is bonded to eight equivalent Tb and four equivalent La atoms to form TbLa4Tb8 cuboctahedra that share corners with four equivalent LaTb12 cuboctahedra, corners with fourteen TbLa4Tb8 cuboctahedra, edges with six equivalent LaTb12 cuboctahedra, edges with twelve equivalent TbLa4Tb8 cuboctahedra, faces with four equivalent LaTb12 cuboctahedra, and faces with sixteen TbLa4Tb8 cuboctahedra. There are two shorter (3.61 Å) and two longer (3.66 Å) Tb–La bond lengths. La is bonded to twelve Tb atoms to form LaTb12 cuboctahedra that share corners with six equivalent LaTb12 cuboctahedra, corners with twelve TbLa4Tb8 cuboctahedra, edges with eighteen TbLa4Tb8 cuboctahedra, faces with eight equivalent LaTb12 cuboctahedra, and faces with twelve TbLa4Tb8 cuboctahedra.