4.8 Article

Crystal Structure of Symmetric Ice X in H2O-H2 and H2O-He under Pressure

Journal

JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 12, Issue 19, Pages 4707-4712

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.1c00606

Keywords

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Funding

  1. NSF [DMR 1701360]
  2. DOE-NNSA [DE-NA0003342]
  3. ARO [W911NF-17-1-0468]
  4. DOE-NNSA's Office of Experimental Sciences
  5. DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]

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This study presents well-resolved X-ray diffraction data of H2O in different pressure media, clearly resolving the differences between Ice VII and Ice X and accurately determining the B0 values for both, which can provide new constraints for Giant planetary models.
Ice VII and ice X are the two most dominant phases, stable over a large pressure range between 2 and 150 GPa and made of fundamentally different chemical bonding. Yet, the two ice phases share a similar bcc-based crystal structure and lattice constants, resulting in a challenge to discern the crystal structure of ice VII and ice X. Here, we present well-resolved X-ray diffraction data of H2O in quasi-hydrostatic H-2 and He pressure media, clearly resolving the two ice phases to 130 GPa and the dissociative nature of ice VII to X transition occurring at 20-50 GPa in H2O-H-2 and 60-70 GPa in H2O-He. The present diffraction data permits, for the first time, the accurate determination of the bulk moduli B-0 of 225 (or 228) GPa for ice X and 6.2 (or 4.5) GPa for ice VII, in H2O-H-2 (or H2O-He), which can provide new constraints for Giant planetary models.

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