Materials Data on SN4O5 by Materials Project

Abstract

N2NONSO4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four nitroxyl molecules, and four NSO4 clusters. In each NSO4 cluster, N3+ is bonded in a distorted bent 120 degrees geometry to one S2- and one O2- atom. The N–S bond length is 2.10 Å. The N–O bond length is 1.17 Å. S2- is bonded in a distorted trigonal pyramidal geometry to one N3+ and three O2- atoms. There is one shorter (1.44 Å) and two longer (1.45 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.