Materials Data on Sr3Er by Materials Project

Abstract

Sr3Er 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 Er atoms to form distorted SrSr8Er4 cuboctahedra that share corners with four equivalent ErSr12 cuboctahedra, corners with fourteen equivalent SrSr8Er4 cuboctahedra, edges with six equivalent ErSr12 cuboctahedra, edges with twelve equivalent SrSr8Er4 cuboctahedra, faces with four equivalent ErSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Er4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.93–4.17 Å. There are two shorter (3.99 Å) and two longer (4.05 Å) Sr–Er bond lengths. Er is bonded to twelve equivalent Sr atoms to form ErSr12 cuboctahedra that share corners with six equivalent ErSr12 cuboctahedra, corners with twelve equivalent SrSr8Er4 cuboctahedra, edges with eighteen equivalent SrSr8Er4 cuboctahedra, faces with eight equivalent ErSr12 cuboctahedra, and faces with twelve equivalent SrSr8Er4 cuboctahedra.