Materials Data on As2H5CO6 by Materials Project

Abstract

CH(H2AsO3)2 crystallizes in the monoclinic Cc 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, there are two inequivalent As+1.50+ sites. In the first As+1.50+ site, As+1.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.74 Å) As–O bond length. In the second As+1.50+ site, As+1.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.74 Å) As–O bond length. There are four 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 (1.58 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 (1.02 Å) and one longer (1.56 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.56 Å) H–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one As+1.50+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one As+1.50+ and two H1+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one As+1.50+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one As+1.50+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one As+1.50+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to one As+1.50+ and one H1+ atom.