Materials Data on LaTb3 by Materials Project

Abstract

Tb3La is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to eight Tb and four equivalent La atoms to form TbLa4Tb8 cuboctahedra that share corners with twelve equivalent TbLa4Tb8 cuboctahedra, edges with eight equivalent LaTb12 cuboctahedra, edges with sixteen TbLa4Tb8 cuboctahedra, faces with four equivalent LaTb12 cuboctahedra, and faces with fourteen TbLa4Tb8 cuboctahedra. There are four shorter (3.62 Å) and four longer (3.63 Å) Tb–Tb bond lengths. All Tb–La bond lengths are 3.62 Å. In the second Tb site, Tb is bonded to eight equivalent Tb and four equivalent La atoms to form TbLa4Tb8 cuboctahedra that share corners with four equivalent TbLa4Tb8 cuboctahedra, corners with eight equivalent LaTb12 cuboctahedra, edges with twenty-four TbLa4Tb8 cuboctahedra, faces with six equivalent LaTb12 cuboctahedra, and faces with twelve TbLa4Tb8 cuboctahedra. All Tb–La bond lengths are 3.63 Å. La is bonded to twelve Tb atoms to form LaTb12 cuboctahedra that share corners with four equivalent LaTb12 cuboctahedra, corners with eight equivalent TbLa4Tb8 cuboctahedra, edges with eight equivalent LaTb12 cuboctahedra, edges with sixteen equivalent TbLa4Tb8 cuboctahedra, faces with four equivalent LaTb12 cuboctahedra, and faces with fourteen TbLa4Tb8 cuboctahedra.