Materials Data on Li2SnPd by Materials Project

Abstract

Li2PdSn 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 Pd and six equivalent Sn atoms to form distorted LiSn6Pd4 tetrahedra that share corners with six equivalent LiSn6Pd4 tetrahedra, edges with twelve equivalent LiSn4Pd6 tetrahedra, and faces with sixteen LiSn6Pd4 tetrahedra. All Li–Pd bond lengths are 2.77 Å. All Li–Sn bond lengths are 3.19 Å. In the second Li site, Li is bonded to six equivalent Pd and four equivalent Sn atoms to form distorted LiSn4Pd6 tetrahedra that share corners with six equivalent LiSn4Pd6 tetrahedra, edges with twelve equivalent LiSn6Pd4 tetrahedra, and faces with sixteen LiSn6Pd4 tetrahedra. All Li–Pd bond lengths are 3.19 Å. All Li–Sn bond lengths are 2.77 Å. Pd is bonded in a 8-coordinate geometry to ten Li and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.77 Å. Sn is bonded in a 8-coordinate geometry to ten Li and four equivalent Pd atoms.