DOE OSTI2020
AgLi2Sn 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 six equivalent Ag and four equivalent Sn atoms to form distorted LiAg6Sn4 tetrahedra that share corners with twelve equivalent SnLi4Ag4 tetrahedra, corners with eighteen LiAg4 tetrahedra, faces with four equivalent SnLi4Ag4 tetrahedra, and faces with sixteen LiAg6Sn4 tetrahedra. All Li–Ag bond lengths are 3.30 Å. All Li–Sn bond lengths are 2.86 Å. In the second Li site, Li is bonded to four equivalent Ag atoms to form distorted LiAg4 tetrahedra that share corners with four equivalent SnLi4Ag4 tetrahedra, corners with twenty-four LiAg6Sn4 tetrahedra, edges with six equivalent SnLi4Ag4 tetrahedra, and faces with four equivalent LiAg6Sn4 tetrahedra. All Li–Ag bond lengths are 2.86 Å. Ag is bonded in a 4-coordinate geometry to ten Li and four equivalent Sn atoms. All Ag–Sn bond lengths are 2.86 Å. Sn is bonded to four equivalent Li and four equivalent Ag atoms to form distorted SnLi4Ag4 tetrahedra that share corners with sixteen LiAg6Sn4 tetrahedra, edges with six equivalent LiAg4 tetrahedra, edges with twelve equivalent SnLi4Ag4 tetrahedra, and faces with four equivalent LiAg6Sn4 tetrahedra.