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Gajda, Roman, 2026, "Hidden complexity in D2O Ice VII", https://doi.org/10.58132/EKBQHT, Dane Badawcze UW, V1
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This data set contains processed high-pressure neutron powder diffraction data for the D2O which were used as data source in scientific paper published in Acta Materialia journal under the following link: https://doi.org/10.1016/j.actamat.2025.121839
Neutron total scattering powder diffraction data have been collected on the PEARL high pressure instrument at the ISIS Neutron and Muon Source (Didcot, United Kingdom)
The supplementary data, in relation to the published contribution, contains specifically:
1. File of Supporting Information
2. Average structure of D2O ice VII from neutron TOF
3. 35 CIF files which represent local structure of ice VII, obtained with use of Pair Distribution Function (PDF) and Reverse Monte Carlo method (RMC).
neutron diffraction, high pressure, Pair Distribution Function, Reverse Monte Carlo
"Hidden complexity in D2O Ice VII" Wojciech A. Sławiński, Grzegorz Łach, Roman Gajda, Michał Chodkiewicz, Piotr Rejnhardt, Mihails Arhangelskis, Christopher J. Ridley, Craig L. Bull, Krzysztof Woźniak (2026), Volume 305, 121839 https://doi.org/10.1016/j.actamat.2025.121839 doi: 10.1016/j.actamat.2025.121839
CC BY - Creative Commons Attribution 4.0
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