Materials Data on Lu3Mg by Materials Project

Abstract

MgLu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Lu atoms to form MgLu12 cuboctahedra that share corners with six equivalent MgLu12 cuboctahedra, corners with twelve equivalent LuLu8Mg4 cuboctahedra, edges with eighteen equivalent LuLu8Mg4 cuboctahedra, faces with eight equivalent MgLu12 cuboctahedra, and faces with twelve equivalent LuLu8Mg4 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.43 Å) Mg–Lu bond lengths. Lu is bonded to four equivalent Mg and eight equivalent Lu atoms to form LuLu8Mg4 cuboctahedra that share corners with four equivalent MgLu12 cuboctahedra, corners with fourteen equivalent LuLu8Mg4 cuboctahedra, edges with six equivalent MgLu12 cuboctahedra, edges with twelve equivalent LuLu8Mg4 cuboctahedra, faces with four equivalent MgLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Mg4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.39–3.47 Å.