ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Local Contact: Dr Dominic Fortes

DOI: 10.5286/ISIS.E.RB1920028

ISIS Experiment Number: RB1920028

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:
Dr Dominic Fortes; (2020): Structural distortions and partial order in the selenate and chromate analogues of mirabilite, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920028

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