Materials Data on S2N by Materials Project

Abstract

NS2 crystallizes in the tetragonal P4_2nm space group. The structure is zero-dimensional and consists of four 1,2,3,5,4,6-tetrathiadiazinane molecules. N3+ is bonded in a bent 120 degrees geometry to two S+1.50- atoms. There is one shorter (1.58 Å) and one longer (1.66 Å) N–S bond length. There are three inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a distorted single-bond geometry to one N3+ and one S+1.50- atom. The S–S bond length is 2.08 Å. In the second S+1.50- site, S+1.50- is bonded in a water-like geometry to two equivalent S+1.50- atoms. In the third S+1.50- site, S+1.50- is bonded in a bent 120 degrees geometry to two equivalent N3+ atoms.