Materials Data on Au3N by Materials Project

Abstract

Au3N crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded in a 9-coordinate geometry to ten Au1+ atoms. There are a spread of Au–Au bond distances ranging from 2.75–3.37 Å. In the second Au1+ site, Au1+ is bonded in a 11-coordinate geometry to seven Au1+ and four N3- atoms. There are a spread of Au–Au bond distances ranging from 2.75–2.88 Å. There are a spread of Au–N bond distances ranging from 3.03–3.22 Å. In the third Au1+ site, Au1+ is bonded in a 11-coordinate geometry to eleven Au1+ atoms. There are a spread of Au–Au bond distances ranging from 2.75–2.97 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to four equivalent Au1+ and two equivalent N3- atoms. Both N–N bond lengths are 1.37 Å. In the second N3- site, N3- is bonded in a distorted linear geometry to four equivalent Au1+ and two equivalent N3- atoms.