Materials Data on Li8Ag5 by Materials Project

Abstract

Ag5Li8 is gamma-brass structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 11-coordinate geometry to five Li and six Ag atoms. All Li–Li bond lengths are 2.84 Å. There are a spread of Li–Ag bond distances ranging from 2.74–3.07 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to three equivalent Li and six Ag atoms. There are three shorter (2.77 Å) and three longer (2.87 Å) Li–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to nine Li and three equivalent Ag atoms. All Ag–Ag bond lengths are 2.92 Å. In the second Ag site, Ag is bonded in a 4-coordinate geometry to ten Li and three Ag atoms. The Ag–Ag bond length is 2.82 Å.