Materials Data on P4PtIO10 by Materials Project

Abstract

PtP2O5IP2O5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four diphosphonate molecules and four PtP2O5I clusters. In each PtP2O5I cluster, Pt2+ is bonded in a distorted water-like geometry to one O2- and one I1- atom. The Pt–O bond length is 2.50 Å. The Pt–I bond length is 2.53 Å. There are two inequivalent P+4.75+ sites. In the first P+4.75+ site, P+4.75+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.46–1.63 Å. In the second P+4.75+ site, P+4.75+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.65 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P+4.75+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P+4.75+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Pt2+ and one P+4.75+ atom. I1- is bonded in a distorted single-bond geometry to one Pt2+ atom.