Pressure-induced hydrogen bond symmetrization in iron oxyhydroxide

Weiming Xu*, Eran Greenberg, Gregory Kh Rozenberg, Moshe P. Pasternak, Elena Bykova, Tiziana Boffa-Ballaran, Leonid Dubrovinsky, Vitali Prakapenka, Michael Hanfland, Olga Yu Vekilova, Sergei I. Simak, Igor A. Abrikosov

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


Under high pressures the hydrogen bonds were predicted to transform from a highly asymmetric soft O-H̄O to a symmetric rigid configuration in which the proton lies midway between the two oxygen atoms. Despite four decades of research on hydroxyl containing compounds, pressure induced hydrogen bond symmetrization remains elusive. Following single crystal x-ray diffraction, Mössbauer and Raman spectroscopy measurements supported by ab initio calculations, we report the H-bonds symmetrization in iron oxyhydroxide, FeOOH, resulting from the Fe3+ high-to-low spin crossover at above 45 GPa.

Original languageEnglish
Article number175501
JournalPhysical Review Letters
Issue number17
StatePublished - 24 Oct 2013


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