Materials Data on Ag3HSN3O2 by Materials Project

Abstract

Ag3N3HSO2 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Ag3N3HSO2 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two N+0.33- atoms. Both Ag–N bond lengths are 2.13 Å. In the second Ag2+ site, Ag2+ is bonded in a linear geometry to two N+0.33- atoms. There are one shorter (2.02 Å) and one longer (2.16 Å) Ag–N bond lengths. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted tetrahedral geometry to three Ag2+ and one S2- atom. The N–S bond length is 1.62 Å. In the second N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to two equivalent Ag2+, one H1+, and one S2- atom. The N–H bond length is 1.03 Å. The N–S bond length is 1.73 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Ag2+ atom. H1+ is bonded in a single-bond geometry to one N+0.33- atom. S2- is bonded in a tetrahedral geometry to two N+0.33- and two equivalent O2- atoms. Both S–O bond lengths are 1.45 Å. O2- is bonded in a single-bond geometry to one S2- atom.