Materials Data on AlP2I9 by Materials Project
AlI4PI3PI2 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight 15177-78-3 molecules, eight phosphorus triiodide molecules, and eight AlI4 clusters. In each AlI4 cluster, Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.54–2.61 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom.