Materials Data on Ag3N5O6 by Materials Project
Ag3N5O6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one N+1.80+ and four O2- atoms. The Ag–N bond length is 2.29 Å. There are two shorter (2.66 Å) and two longer (2.71 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.66 Å. There are four inequivalent N+1.80+ sites. In the first N+1.80+ site, N+1.80+ is bonded in a linear geometry to two N+1.80+ atoms. Both N–N bond lengths are 1.19 Å. In the second N+1.80+ site, N+1.80+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the third N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to one Ag1+ and one N+1.80+ atom. In the fourth N+1.80+ site, N+1.80+ is bonded in a distorted single-bond geometry to one N+1.80+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one N+1.80+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one N+1.80+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one N+1.80+ atom.