Compression of meridianiite (MgSO4.11D2O) single crystals to 5 kbar

DOI

We propose to carry out single crystal diffraction measurements of the most hydrated MgSO4 compounds, meridianiite, using a thin-walled TiZr gas cell on SXD up to 5 kbar. These measurements will provide us with the ground-truth for a set of ab initio DFT calculations which predict the variation in, for example, unit-cell dimensions, particular trends in hydrogen bond lengths, and changes in polyhedral compressibilities. The work will complement our earlier single-crystal study of meridianiite at room pressure from 4-250 K, and our high-pressure powder diffraction studies.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24079436
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24079436
Provenance
Creator Dr Dominic Fortes
Publisher ISIS Neutron and Muon Source
Publication Year 2013
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 Photon- and Neutron Geosciences
Temporal Coverage Begin 2010-06-25T08:33:18Z
Temporal Coverage End 2010-07-12T04:30:22Z