Materials Data on S5N6 by Materials Project

Abstract

N6S5 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four N6S5 clusters. there are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the third N+1.67+ site, N+1.67+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.73 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.67+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.67+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent N+1.67+ atoms.