Materials Data on AsH9C2S(NO)4 by Materials Project

Abstract

C2N4H7SH2AsO4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ac1mvgyg molecules and one H2AsO4 ribbon oriented in the (1, 0, 0) direction. In the H2AsO4 ribbon, As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.77 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.55 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.57 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one H1+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one As5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one H1+ atom.