Materials Data on Li3Mg by Materials Project

Abstract

Li3Mg is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to eight equivalent Li and four equivalent Mg atoms to form LiLi8Mg4 cuboctahedra that share corners with twelve equivalent LiLi8Mg4 cuboctahedra, edges with eight equivalent MgLi12 cuboctahedra, edges with sixteen equivalent LiLi8Mg4 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with fourteen equivalent LiLi8Mg4 cuboctahedra. All Li–Li bond lengths are 3.05 Å. All Li–Mg bond lengths are 3.05 Å. Mg is bonded to twelve equivalent Li atoms to form MgLi12 cuboctahedra that share corners with twelve equivalent MgLi12 cuboctahedra, edges with twenty-four equivalent LiLi8Mg4 cuboctahedra, faces with six equivalent MgLi12 cuboctahedra, and faces with twelve equivalent LiLi8Mg4 cuboctahedra.