Materials Data on SICl7 by Materials Project

Abstract

SCl3ICl4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ICl4 clusters and four SCl3 clusters. In each ICl4 cluster, I5+ is bonded in a rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of I–Cl bond distances ranging from 2.47–2.61 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one I5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one I5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one I5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one I5+ atom. In each SCl3 cluster, S2+ is bonded in a distorted trigonal non-coplanar geometry to three Cl1- atoms. All S–Cl bond lengths are 2.03 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom.