Materials Data on Ag4S(NO)2 by Materials Project

Abstract

Ag4(NSO2N) crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two N1+ atoms. There are one shorter (2.15 Å) and one longer (2.20 Å) Ag–N bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two N1+ and one O2- atom. There are one shorter (2.19 Å) and one longer (2.21 Å) Ag–N bond lengths. The Ag–O bond length is 2.80 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two N1+ atoms. There are one shorter (2.15 Å) and one longer (2.22 Å) Ag–N bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to one N1+ and one O2- atom. The Ag–N bond length is 2.23 Å. The Ag–O bond length is 2.19 Å. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a 5-coordinate geometry to four Ag1+ and one S2- atom. The N–S bond length is 1.66 Å. In the second N1+ site, N1+ is bonded in a distorted tetrahedral geometry to three Ag1+ and one S2- atom. The N–S bond length is 1.60 Å. S2- is bonded in a tetrahedral geometry to two N1+ and two O2- atoms. There is one shorter (1.47 Å) and one longer (1.52 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S2- atom.