Materials Data on B2AsCl2 by Materials Project

Abstract

B2AsCl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two B2AsCl2 clusters. there are four inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one As2+ and one Cl1- atom. The B–As bond length is 2.13 Å. The B–Cl bond length is 1.76 Å. In the second B site, B is bonded in a single-bond geometry to two As2+ and one Cl1- atom. There are one shorter (2.18 Å) and one longer (2.19 Å) B–As bond lengths. The B–Cl bond length is 1.75 Å. In the third B site, B is bonded in a single-bond geometry to two As2+ and one Cl1- atom. Both B–As bond lengths are 2.18 Å. The B–Cl bond length is 1.76 Å. In the fourth B site, B is bonded in a single-bond geometry to one As2+ and one Cl1- atom. The B–As bond length is 2.13 Å. The B–Cl bond length is 1.76 Å. There are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a 3-coordinate geometry to three B atoms. In the second As2+ site, As2+ is bonded in a 3-coordinate geometry to three B atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one B atom.