Materials Data on AsS(NO4)2 by Materials Project

Abstract

N2AsO4SO4 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four sulfuric acid molecules, and four AsO4 clusters. In each AsO4 cluster, As2+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.71 Å) and three longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one As2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one As2+ atom.