Materials Data on GdHo3 by Materials Project

Abstract

Ho3Gd is alpha La-derived 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 Gd atoms to form HoGd4Ho8 cuboctahedra that share corners with twelve equivalent HoGd4Ho8 cuboctahedra, edges with eight equivalent GdHo12 cuboctahedra, edges with sixteen HoGd4Ho8 cuboctahedra, faces with four equivalent GdHo12 cuboctahedra, and faces with fourteen HoGd4Ho8 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.57 Å) Ho–Ho bond lengths. All Ho–Gd bond lengths are 3.57 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Gd atoms to form HoGd4Ho8 cuboctahedra that share corners with four equivalent HoGd4Ho8 cuboctahedra, corners with eight equivalent GdHo12 cuboctahedra, edges with twenty-four HoGd4Ho8 cuboctahedra, faces with six equivalent GdHo12 cuboctahedra, and faces with twelve HoGd4Ho8 cuboctahedra. All Ho–Gd bond lengths are 3.54 Å. Gd is bonded to twelve Ho atoms to form GdHo12 cuboctahedra that share corners with four equivalent GdHo12 cuboctahedra, corners with eight equivalent HoGd4Ho8 cuboctahedra, edges with eight equivalent GdHo12 cuboctahedra, edges with sixteen equivalent HoGd4Ho8 cuboctahedra, faces with four equivalent GdHo12 cuboctahedra, and faces with fourteen HoGd4Ho8 cuboctahedra.