Materials Data on Ho3Sb by Materials Project

Abstract

Ho3Sb is Uranium Silicide-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 Sb atoms to form distorted HoHo8Sb4 cuboctahedra that share corners with twelve equivalent HoHo8Sb4 cuboctahedra, edges with eight equivalent HoHo8Sb4 cuboctahedra, edges with eight equivalent SbHo12 cuboctahedra, faces with four equivalent SbHo12 cuboctahedra, and faces with ten equivalent HoHo8Sb4 cuboctahedra. There are four shorter (3.26 Å) and four longer (3.48 Å) Ho–Ho bond lengths. All Ho–Sb bond lengths are 3.48 Å. In the second Ho site, Ho is bonded in a square co-planar geometry to eight equivalent Ho and four equivalent Sb atoms. All Ho–Sb bond lengths are 3.26 Å. Sb is bonded to twelve Ho atoms to form SbHo12 cuboctahedra that share corners with four equivalent SbHo12 cuboctahedra, edges with eight equivalent SbHo12 cuboctahedra, edges with sixteen equivalent HoHo8Sb4 cuboctahedra, faces with four equivalent SbHo12 cuboctahedra, and faces with eight equivalent HoHo8Sb4 cuboctahedra.