Materials Data on Li2PbAu by Materials Project

Abstract

Li2AuPb is Zintl Phase-derived structured and 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 to four equivalent Pb atoms to form distorted corner-sharing LiPb4 tetrahedra. All Li–Pb bond lengths are 2.92 Å. In the second Li site, Li is bonded to four equivalent Au atoms to form distorted corner-sharing LiAu4 tetrahedra. All Li–Au bond lengths are 2.92 Å. Au is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pb atoms. All Au–Pb bond lengths are 2.92 Å. Pb is bonded in a 8-coordinate geometry to four equivalent Li and four equivalent Au atoms.