Materials Data on Li2SbPt by Materials Project

Abstract

Li2PtSb 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 Pt and six equivalent Sb atoms to form distorted LiSb6Pt4 tetrahedra that share corners with six equivalent LiSb6Pt4 tetrahedra, edges with twelve equivalent LiSb4Pt6 tetrahedra, and faces with sixteen LiSb6Pt4 tetrahedra. All Li–Pt bond lengths are 2.76 Å. All Li–Sb bond lengths are 3.18 Å. In the second Li site, Li is bonded to six equivalent Pt and four equivalent Sb atoms to form distorted LiSb4Pt6 tetrahedra that share corners with six equivalent LiSb4Pt6 tetrahedra, edges with twelve equivalent LiSb6Pt4 tetrahedra, and faces with sixteen LiSb6Pt4 tetrahedra. All Li–Pt bond lengths are 3.18 Å. All Li–Sb bond lengths are 2.76 Å. Pt is bonded in a 8-coordinate geometry to ten Li and four equivalent Sb atoms. All Pt–Sb bond lengths are 2.76 Å. Sb is bonded in a 8-coordinate geometry to ten Li and four equivalent Pt atoms.