Materials Data on As2H6CO6 by Materials Project

Abstract

CH2(H2AsO3)2 crystallizes in the orthorhombic Aea2 space group. The structure is two-dimensional and consists of four methane molecules and two H2AsO3 sheets oriented in the (0, 1, 0) direction. In each H2AsO3 sheet, As1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.69–1.75 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 (1.02 Å) and one longer (1.57 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 (1.54 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one As1+ and one H1+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one As1+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one As1+ and two H1+ atoms.