Materials Data on Ba3Au2 by Materials Project
Ba3Au2 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 Au atoms. All Ba–Au bond lengths are 3.48 Å. In the second Ba site, Ba is bonded in a 6-coordinate geometry to six equivalent Au atoms. There are three shorter (3.43 Å) and three longer (3.55 Å) Ba–Au bond lengths. In the third Ba site, Ba is bonded in a 4-coordinate geometry to five equivalent Au atoms. There are a spread of Ba–Au bond distances ranging from 3.40–4.06 Å. Au is bonded in a 7-coordinate geometry to eight Ba and one Au atom. The Au–Au bond length is 3.29 Å.
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