Research data supporting "Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure"

Crystallographic information files of structures in the Xe-O binary system predicted to be stable at high pressures (83 GPa, 150 GPa and 200 GPa). Pressures and space groups given in file names. Structures found using Ab Initio Random Structure Searching (AIRSS) coupled with Density Functional Theory (DFT) methods.This work was supported by the EPSRC [research grant numbers EP/J017639/1 and EP/K014560/1], European Synchrotron Radiation Facility [grant numbers HS-4067 and HC-767] and Royal Society Wolfson Research Merit Award (for Chris J. Pickard)