Materials Data on ErLu3 by Materials Project

Abstract

Lu3Er is Magnesium-derived 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 Er atoms to form LuEr4Lu8 cuboctahedra that share corners with four equivalent ErLu12 cuboctahedra, corners with fourteen equivalent LuEr4Lu8 cuboctahedra, edges with six equivalent ErLu12 cuboctahedra, edges with twelve equivalent LuEr4Lu8 cuboctahedra, faces with four equivalent ErLu12 cuboctahedra, and faces with sixteen equivalent LuEr4Lu8 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.43–3.55 Å. There are two shorter (3.43 Å) and two longer (3.54 Å) Lu–Er bond lengths. Er is bonded to twelve equivalent Lu atoms to form ErLu12 cuboctahedra that share corners with six equivalent ErLu12 cuboctahedra, corners with twelve equivalent LuEr4Lu8 cuboctahedra, edges with eighteen equivalent LuEr4Lu8 cuboctahedra, faces with eight equivalent ErLu12 cuboctahedra, and faces with twelve equivalent LuEr4Lu8 cuboctahedra.