Materials Data on ICl3 by Materials Project

ICl3 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ICl3 cluster. I is bonded in a rectangular see-saw-like geometry to four Cl atoms. There are a spread of I–Cl bond distances ranging from 2.39–2.74 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one I atom. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent I atoms. In the third Cl site, Cl is bonded in a single-bond geometry to one I atom.