Materials Data on Ba3Ag2 by Materials Project

Abstract

Ba3Ag2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in an octahedral geometry to six equivalent Ag atoms. All Ba–Ag bond lengths are 3.58 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to six equivalent Ag atoms. There are three shorter (3.47 Å) and three longer (3.56 Å) Ba–Ag bond lengths. In the third Ba site, Ba is bonded in a 4-coordinate geometry to five equivalent Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.54–4.22 Å. Ag is bonded in a 9-coordinate geometry to eight Ba and one Ag atom. The Ag–Ag bond length is 3.09 Å.