Materials Data on Li2MgBi by Materials Project

Abstract

Li2MgBi crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms. All Li–Li bond lengths are 3.08 Å. All Li–Mg bond lengths are 3.08 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Bi atoms to form distorted edge-sharing LiLi4Bi4 tetrahedra. All Li–Bi bond lengths are 3.08 Å. Mg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Bi atoms. All Mg–Bi bond lengths are 3.08 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Mg atoms.