O8 cluster structure of the epsilon phase of solid oxygen

Despite many experimental and theoretical studies, the crystal structure of the epsilon phase of solid oxygen has not been determined. We performed powder x-ray diffraction experiments and the Rietveld analyses in this study to show that a new arrangement of the monoclinic space group C2/m could fit the diffraction patterns of the epsilon phase and obtained a structure that consisted of an O8 cluster with 4 molecules. The dependence of the lattice parameters, the molar volume, and the intermolecular distances on the pressure was investigated.