Materials Data on Sr3Ho by Materials Project

Abstract

Sr3Ho is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to eight equivalent Sr and four equivalent Ho atoms to form distorted SrSr8Ho4 cuboctahedra that share corners with four equivalent HoSr12 cuboctahedra, corners with fourteen equivalent SrSr8Ho4 cuboctahedra, edges with six equivalent HoSr12 cuboctahedra, edges with twelve equivalent SrSr8Ho4 cuboctahedra, faces with four equivalent HoSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Ho4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.92–4.17 Å. There are two shorter (3.99 Å) and two longer (4.04 Å) Sr–Ho bond lengths. Ho is bonded to twelve equivalent Sr atoms to form HoSr12 cuboctahedra that share corners with six equivalent HoSr12 cuboctahedra, corners with twelve equivalent SrSr8Ho4 cuboctahedra, edges with eighteen equivalent SrSr8Ho4 cuboctahedra, faces with eight equivalent HoSr12 cuboctahedra, and faces with twelve equivalent SrSr8Ho4 cuboctahedra.