ISIS Neutron and Muon Source Data Journal

Origin of the structural relaxation in ice V and the H/D volume isotope effect

Abstract: Ice V is disordered monoclinic polymorph of water ice, with a complex structural topology. In our work on ice V (recovered to atmospheric pressure at liquid-nitrogen temperatures) we have observed a structural relaxation we believe is due to a change in the orientational order of the water molecules. To test this hypothesis, we propose to measure high-quality structural datasets from both the un-relaxed and the relaxed forms of D2O ice V using high-resolution neutron powder diffraction. Our earlier work also showed that ice V exhibits negative linear expansion along its c-axis, a property we believe to be correlated with anomalous lattice expansion due to isotopic substitution. Since these isotope effects have proven so challenging to predict computationally, experimental verification of these correlations are essential, and we propose also to measure high-resolution data from H2O ice V.

Principal Investigator: Professor Ian Wood
Experimenter: Dr Christopher Howard
Experimenter: Mr Geoffrey Baron
Experimenter: Dr Dominic Fortes
Experimenter: Mr Andy Jamieson

DOI: 10.5286/ISIS.E.RB1910024

ISIS Experiment Number: RB1910024

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Ian Wood et al; (2019): Origin of the structural relaxation in ice V and the H/D volume isotope effect, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1910024

Data is released under the CC-BY-4.0 license.