Journal Article PUBDB-2026-00055

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Observation of a mixed close-packed structure in superionic water

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2025
Springer Nature [London]

Nature Communications 17, 374 () [10.1038/s41467-025-67063-2]
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Abstract: The study of superionic (SI) water has been a highly active research area since its theoretical prediction. Despite significant experimental and computational efforts, its melting curve and the stability of different oxygen lattices remain debated, impacting our understanding of SI ice’s peculiar transport properties. Experimental results at lower pressures show disagreement, whereas data at higher pressures are scarce due to the extreme challenges of such experiments. In this work, we present ultrafast X-ray diffraction results of water compressed by multiple shocks to pressures up to ~ 180 GPa. At pressures exceeding 150 GPa and temperatures around 2500 K, our diffraction patterns challenge the pure FCC-SI phase model, providing experimental evidence of the mixed close-packed superionic phase predicted by advanced ab initio calculations. At lower pressures, we observe simultaneous signatures of BCC and FCC structures within a pressure-temperature range consistent with some static-compression experiments, helping to resolve contradictory results in literature. These insights offer new constraints on the stability domains of SI phases and reveal detailed structural features, such as stacking faults. Our results advance the structural understanding of high-pressure SI ice to a level approaching that of ice I polymorphs, with potential implications for water-rich interiors of giant planets.

Classification:

Contributing Institute(s):
  1. FS-PS Fachgruppe HIBEF (FS-HIBEF)
  2. HED (XFEL_E1_HED)
  3. Optical Lasers (XFEL_DO_ID_LAS)
Research Program(s):
  1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
  2. DFG project 505630685 - Untersuchung planetarer Eise mit Kompressionsexperimenten (505630685) (505630685)
Experiment(s):
  1. XFEL Beamline SASE 2 (XFEL)

Appears in the scientific report 2025
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 Record created 2026-01-06, last modified 2026-03-24


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