Materials Data on Sr3Ce by Materials Project

Abstract

Sr3Ce 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 Ce atoms to form distorted SrSr8Ce4 cuboctahedra that share corners with four equivalent CeSr12 cuboctahedra, corners with fourteen equivalent SrSr8Ce4 cuboctahedra, edges with six equivalent CeSr12 cuboctahedra, edges with twelve equivalent SrSr8Ce4 cuboctahedra, faces with four equivalent CeSr12 cuboctahedra, and faces with sixteen equivalent SrSr8Ce4 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 4.00–4.19 Å. There are two shorter (3.98 Å) and two longer (4.10 Å) Sr–Ce bond lengths. Ce is bonded to twelve equivalent Sr atoms to form CeSr12 cuboctahedra that share corners with six equivalent CeSr12 cuboctahedra, corners with twelve equivalent SrSr8Ce4 cuboctahedra, edges with eighteen equivalent SrSr8Ce4 cuboctahedra, faces with eight equivalent CeSr12 cuboctahedra, and faces with twelve equivalent SrSr8Ce4 cuboctahedra.