Materials Data on YHo3 by Materials Project

Abstract

Ho3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Y atoms to form HoY4Ho8 cuboctahedra that share corners with four equivalent YHo12 cuboctahedra, corners with fourteen equivalent HoY4Ho8 cuboctahedra, edges with six equivalent YHo12 cuboctahedra, edges with twelve equivalent HoY4Ho8 cuboctahedra, faces with four equivalent YHo12 cuboctahedra, and faces with sixteen equivalent HoY4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.50–3.63 Å. There are two shorter (3.51 Å) and two longer (3.61 Å) Ho–Y bond lengths. Y is bonded to twelve equivalent Ho atoms to form YHo12 cuboctahedra that share corners with six equivalent YHo12 cuboctahedra, corners with twelve equivalent HoY4Ho8 cuboctahedra, edges with eighteen equivalent HoY4Ho8 cuboctahedra, faces with eight equivalent YHo12 cuboctahedra, and faces with twelve equivalent HoY4Ho8 cuboctahedra.