Neutron diffraction on filled ices with C_0 structure prepared between 3 and 7 kbar

DOI

The proposing team has a well established experience in the study on samples containingH_2 and D_2. Our recent neutron spectroscopic results on sII and sH H_2-filled clathrate hydrates, obtained on TOSCA, allowed to investigate the quantum dynamics of the guest H_2 molecules inside the host cages. This proposal now aims to study a new compound (named C_0 filled ice) still formed by H_2/D_2 and D_2O, but having a totally different crystal structure, analogous to that of alpha-quartz. This system might have a relevance from the perspective of new materials suitable for H_2 storage applications, since it can contain a large amount of H_2. Thus we propose to perform neutron diffraction on powder samples of C_0 (D_2O + D_2 or H_2 or HD), and to analyze the data through Rietveld refinement, so to accurately determine the positions of the atoms in the unit cell.

Identifier
DOI https://doi.org/10.5286/ISIS.E.47623107
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/47623107
Provenance
Creator Dr Milva Celli; Professor Yoshiaki Kiyanagi; Dr Daniele Colognesi; Dr Francesco Grazzi; Dr Lorenzo Ulivi; Dr Andrea Bagattini; Miss Marta Masetti
Publisher ISIS Neutron and Muon Source
Publication Year 2017
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences; Physics
Temporal Coverage Begin 2014-03-01T00:00:00Z
Temporal Coverage End 2014-03-04T13:47:14Z