Materials Data on CeLu3 by Materials Project

Abstract

Lu3Ce is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded to eight equivalent Lu and four equivalent Ce atoms to form LuCe4Lu8 cuboctahedra that share corners with four equivalent CeLu12 cuboctahedra, corners with fourteen equivalent LuCe4Lu8 cuboctahedra, edges with six equivalent CeLu12 cuboctahedra, edges with twelve equivalent LuCe4Lu8 cuboctahedra, faces with four equivalent CeLu12 cuboctahedra, and faces with sixteen equivalent LuCe4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.44–3.51 Å. There are two shorter (3.44 Å) and two longer (3.50 Å) Lu–Ce bond lengths. Ce is bonded to twelve equivalent Lu atoms to form CeLu12 cuboctahedra that share corners with six equivalent CeLu12 cuboctahedra, corners with twelve equivalent LuCe4Lu8 cuboctahedra, edges with eighteen equivalent LuCe4Lu8 cuboctahedra, faces with eight equivalent CeLu12 cuboctahedra, and faces with twelve equivalent LuCe4Lu8 cuboctahedra.