A New Ethane Polymorph

Abstract

A new high-pressure crystal form of ethane has been revealed above 2.46 GPa/295 K. This phase IV is tetragonal, of space group P42/mnm, with the H atom disordered due to the molecular rotations about the C–C bond. The crystal structure has been determined by single-crystal X-ray diffraction up to 5.90 GPa. The structure of phase IV resembles the previously determined low-temperature plastic phase I (stable below 90.32 K), of cubic space group Im3m, metastable phase II observed between 89.78 and 89.68 K, as well as monoclinic phase III (space group P21/n) stable below 89.68 K. In phases III and IV, the molecules are arranged according to the weak electrostatic complementarity between neighbors. Liquid-ethane convection erodes the crystal plate, hence colorful interference pattern.