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New publication on detailed crystal-structure analysis of ice VII

25 Sep. 2022

A paper first-authored by Dr. Yamashita (currently a post-doc researcher in University of Innsbruck) is now open on PNAS. We elucidated unique local structure and atomic distribution in ice VII through neutron diffraction.

Distribution of scattering-length density in ice VII derived from (A) single-crystal data and (B) powder diffraction data, both at 298 K and 2.2 GPa. (C and D) are cross sections of (A and B) on the (110) plane, respectively. The oxygens and deuteriums are illustrated as those in the single-site model with O-D = 0.97 Å, as in the water molecule, and ∠DOD = 109.47° for comparison. Density decreases from red to blue color.

Yamashita K., Komatsu K., Klotz S., Fabelo O., Maria T. Fernández-Díazc M.T., Abe J., Machida S., Hattori T., Irifune T., Shinmei T., Sugiyama K., Kawamata T., and Kagi H. (2022) Atomic distribution and local structure in ice VII from in-situ neutron diffraction. Proceedings of the National Academy of Sciences, 119, e2208171119. doi.org/10.1073/pnas.2208717119

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