Materials Data on SbAs2Cl13 by Materials Project

Abstract

SbCl6AsCl3AsCl4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four trichloroarsine molecules, four AsCl4 clusters, and four SbCl6 clusters. In each AsCl4 cluster, As5+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.10 Å) and two longer (2.11 Å) As–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one As5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one As5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one As5+ atom. In each SbCl6 cluster, Sb3+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.41 Å) and two longer (2.43 Å) Sb–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom.