Materials Data on GaP2I9 by Materials Project
GaI4PI3PI2 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 GaI4 clusters. In each GaI4 cluster, Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Ga–I bond distances ranging from 2.56–2.64 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom.