Materials Data on Ho3Pb by Materials Project

Abstract

Ho3Pb 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 Pb atoms to form distorted HoHo8Pb4 cuboctahedra that share corners with twelve equivalent HoHo8Pb4 cuboctahedra, edges with eight equivalent HoHo8Pb4 cuboctahedra, edges with eight equivalent PbHo12 cuboctahedra, faces with four equivalent PbHo12 cuboctahedra, and faces with ten equivalent HoHo8Pb4 cuboctahedra. There are four shorter (3.32 Å) and four longer (3.52 Å) Ho–Ho bond lengths. All Ho–Pb bond lengths are 3.52 Å. In the second Ho site, Ho is bonded in a square co-planar geometry to eight equivalent Ho and four equivalent Pb atoms. All Ho–Pb bond lengths are 3.32 Å. Pb is bonded to twelve Ho atoms to form PbHo12 cuboctahedra that share corners with four equivalent PbHo12 cuboctahedra, edges with eight equivalent PbHo12 cuboctahedra, edges with sixteen equivalent HoHo8Pb4 cuboctahedra, faces with four equivalent PbHo12 cuboctahedra, and faces with eight equivalent HoHo8Pb4 cuboctahedra.