Materials Data on AsS4N3 by Materials Project

Abstract

N2NSAs(S)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four nitrogen molecules; four NSAs clusters; and two S ribbons oriented in the (0, 1, 0) direction. In each NSAs cluster, As5+ is bonded in a distorted single-bond geometry to one N1+ atom. The As–N bond length is 1.68 Å. N1+ is bonded in a distorted linear geometry to one As5+ and one S2- atom. The N–S bond length is 1.55 Å. S2- is bonded in a single-bond geometry to one N1+ atom. In each S ribbon, there are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. Both S–S bond lengths are 2.04 Å. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.16 Å.