Novel Hydrogen Clathrate Hydrate

Yu Wang, Konstantin Glazyrin, Valery Roizen, Artem R. Oganov, Ivan Chernyshov, Xiao Zhang, Eran Greenberg, Vitali B. Prakapenka, Xue Yang, Shu Qing Jiang, Alexander F. Goncharov

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


We report a new hydrogen clathrate hydrate synthesized at 1.2 GPa and 298 K documented by single-crystal X-ray diffraction, Raman spectroscopy, and first-principles calculations. The oxygen sublattice of the new clathrate hydrate matches that of ice II, while hydrogen molecules are in the ring cavities, which results in the trigonal R3c or R3c space group (proton ordered or disordered, respectively) and the composition of (H2O)6H2. Raman spectroscopy and theoretical calculations reveal a hydrogen disordered nature of the new phase C1', distinct from the well-known ordered C1 clathrate, to which this new structure transforms upon compression and/or cooling. This new clathrate phase can be viewed as a realization of a disordered ice II, unobserved before, in contrast to all other ordered ice structures.

Original languageEnglish
Article numberDOI: 10.1103/PhysRevLett.125.255702
JournalPhysical Review Letters
Issue number25
Publication statusPublished - 2020


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