Reinvestigation of Crystal Structures of Hydrogen Sulfide under High Pressure

Abstract

Hydrogen sulfide H₂S had been interested in its structural behaviors at low temperature and high pressure as a similar material with H₂O ice and as a hydrogen bonding system until 2004. Many solid phases were found and their crystal structures, molecular motions, and hydrogen bonding state were studied by nuclear magnetic resonance, raman, infrared, x-ray, and neutron experiments. Research on hydrogen sulfide became very active again after the discovery of superconductivity at 200 GPa in 2014. The authors think that the crystal structures of H₂S previously reported should be re-examined by using recent structure-analysis techniques with density functional theory calculations. In this article, we will summarize recent structural aspects about some phases of hydrogen sulfide.