Structural distortions and partial order in the selenate and chromate analogues of mirabilite

DOI

The mineral mirabilite (di-sodium sulfate decahydrate) has been extensively studied by X-ray and neutron powder and single-crystal diffraction methods. The structure contains an interesting square ring of water molecules that is fully disordered at high temperatures, but which becomes partially ordered on cooling. One of the factors that appears to control this ordering process is a thermally-induced libration of the sulfate ions to which the square rings are hydrogen-bonded. In an effort to understand this relationship further, I propose to study the ordering process - both on slow cooling and rapid quenching - in selenium- and chromium-substituted analogues of mirabilite. High-resolution neutron powder diffraction is essential to characterise both the H-atom disorder and to measure the very subtle structural distortions known to be associated with the change in partial order.

Identifier
DOI https://doi.org/10.5286/ISIS.E.RB1920028-1
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/109980511
Provenance
Creator Dr Dominic Fortes
Publisher ISIS Neutron and Muon Source
Publication Year 2023
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
Temporal Coverage Begin 2020-02-22T08:30:00Z
Temporal Coverage End 2020-02-23T09:26:52Z