Materials Data on LiMg by Materials Project

Abstract

LiMg crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded to five equivalent Li and seven equivalent Mg atoms to form distorted LiLi5Mg7 cuboctahedra that share corners with four equivalent MgLi7Mg5 cuboctahedra, corners with fourteen equivalent LiLi5Mg7 cuboctahedra, edges with eight equivalent LiLi5Mg7 cuboctahedra, edges with ten equivalent MgLi7Mg5 cuboctahedra, faces with eight equivalent LiLi5Mg7 cuboctahedra, and faces with twelve equivalent MgLi7Mg5 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.09–3.12 Å. There are a spread of Li–Mg bond distances ranging from 3.07–3.11 Å. Mg is bonded to seven equivalent Li and five equivalent Mg atoms to form distorted MgLi7Mg5 cuboctahedra that share corners with four equivalent LiLi5Mg7 cuboctahedra, corners with fourteen equivalent MgLi7Mg5 cuboctahedra, edges with eight equivalent MgLi7Mg5 cuboctahedra, edges with ten equivalent LiLi5Mg7 cuboctahedra, faces with eight equivalent MgLi7Mg5 cuboctahedra, and faces with twelve equivalent LiLi5Mg7 cuboctahedra. There are two shorter (3.09 Å) and three longer (3.12 Å) Mg–Mg bond lengths.