Materials Data on As2H2CCl4 by Materials Project

Abstract

CAs2H2Cl4 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of twelve methylenebis(dichloroarsine) molecules. C2+ is bonded in a distorted tetrahedral geometry to two As and two H1+ atoms. There is one shorter (1.99 Å) and one longer (2.00 Å) C–As bond length. Both C–H bond lengths are 1.10 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 3-coordinate geometry to one C2+ and two Cl1- atoms. There are one shorter (2.22 Å) and one longer (2.25 Å) As–Cl bond lengths. In the second As site, As is bonded in a 3-coordinate geometry to one C2+ and two Cl1- atoms. There are one shorter (2.22 Å) and one longer (2.24 Å) As–Cl bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one As atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one As atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one As atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one As atom.