Materials Data on LiMg2 by Materials Project

Abstract

LiMg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to two equivalent Li and ten equivalent Mg atoms to form distorted LiLi2Mg10 cuboctahedra that share corners with eighteen equivalent MgLi5Mg7 cuboctahedra, edges with eight equivalent MgLi5Mg7 cuboctahedra, edges with ten equivalent LiLi2Mg10 cuboctahedra, faces with six equivalent LiLi2Mg10 cuboctahedra, and faces with fourteen equivalent MgLi5Mg7 cuboctahedra. Both Li–Li bond lengths are 3.14 Å. There are a spread of Li–Mg bond distances ranging from 3.08–3.16 Å. Mg is bonded to five equivalent Li and seven equivalent Mg atoms to form distorted MgLi5Mg7 cuboctahedra that share corners with nine equivalent LiLi2Mg10 cuboctahedra, corners with nine equivalent MgLi5Mg7 cuboctahedra, edges with four equivalent LiLi2Mg10 cuboctahedra, edges with fourteen equivalent MgLi5Mg7 cuboctahedra, faces with seven equivalent LiLi2Mg10 cuboctahedra, and faces with thirteen equivalent MgLi5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.16 Å.