Materials Data on LiEu3 by Materials Project

Abstract

LiEu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Eu atoms to form LiEu12 cuboctahedra that share corners with six equivalent LiEu12 cuboctahedra, corners with twelve equivalent EuLi4Eu8 cuboctahedra, edges with eighteen equivalent EuLi4Eu8 cuboctahedra, faces with eight equivalent LiEu12 cuboctahedra, and faces with twelve equivalent EuLi4Eu8 cuboctahedra. There are six shorter (3.79 Å) and six longer (3.80 Å) Li–Eu bond lengths. Eu is bonded to four equivalent Li and eight equivalent Eu atoms to form EuLi4Eu8 cuboctahedra that share corners with four equivalent LiEu12 cuboctahedra, corners with fourteen equivalent EuLi4Eu8 cuboctahedra, edges with six equivalent LiEu12 cuboctahedra, edges with twelve equivalent EuLi4Eu8 cuboctahedra, faces with four equivalent LiEu12 cuboctahedra, and faces with sixteen equivalent EuLi4Eu8 cuboctahedra. There are a spread of Eu–Eu bond distances ranging from 3.74–3.86 Å.