Materials Data on TbHo3 by Materials Project

Abstract

Ho3Tb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Tb atoms to form HoTb4Ho8 cuboctahedra that share corners with twelve equivalent HoTb4Ho8 cuboctahedra, edges with eight equivalent TbHo12 cuboctahedra, edges with sixteen HoTb4Ho8 cuboctahedra, faces with four equivalent TbHo12 cuboctahedra, and faces with fourteen HoTb4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.53 Å. All Ho–Tb bond lengths are 3.53 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Tb atoms to form HoTb4Ho8 cuboctahedra that share corners with four equivalent HoTb4Ho8 cuboctahedra, corners with eight equivalent TbHo12 cuboctahedra, edges with twenty-four HoTb4Ho8 cuboctahedra, faces with six equivalent TbHo12 cuboctahedra, and faces with twelve HoTb4Ho8 cuboctahedra. All Ho–Tb bond lengths are 3.53 Å. Tb is bonded to twelve Ho atoms to form TbHo12 cuboctahedra that share corners with four equivalent TbHo12 cuboctahedra, corners with eight equivalent HoTb4Ho8 cuboctahedra, edges with eight equivalent TbHo12 cuboctahedra, edges with sixteen equivalent HoTb4Ho8 cuboctahedra, faces with four equivalent TbHo12 cuboctahedra, and faces with fourteen HoTb4Ho8 cuboctahedra.