Materials Data on PtCl4O5 by Materials Project

Abstract

PtO3Cl4O2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four molecular oxygen molecules and four PtO3Cl4 clusters. In each PtO3Cl4 cluster, Pt is bonded in a 6-coordinate geometry to two O and four Cl atoms. There are one shorter (1.83 Å) and one longer (2.69 Å) Pt–O bond lengths. There are a spread of Pt–Cl bond distances ranging from 2.27–2.34 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.22 Å. In the second O site, O is bonded in a single-bond geometry to one Pt atom. In the third O site, O is bonded in a single-bond geometry to one O atom. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Pt atom.