Materials Data on Li2TlAg by Materials Project

Abstract

Li2AgTl 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 Tl atoms to form distorted corner-sharing LiTl4 tetrahedra. All Li–Tl bond lengths are 2.91 Å. In the second Li site, Li is bonded to four equivalent Ag atoms to form distorted corner-sharing LiAg4 tetrahedra. All Li–Ag bond lengths are 2.91 Å. Ag is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Ag–Tl bond lengths are 2.91 Å. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ag atoms.