Thermal expansion of deuterated monoclinic natrojarosite; a combined neutron–synchrotron powder diffraction study

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dc.contributor.authorBrand, HEAen_AU
dc.contributor.authorScarlett, NVYen_AU
dc.contributor.authorKnight, KSen_AU
dc.date.accessioned2021-12-07T03:12:28Zen_AU
dc.date.available2021-12-07T03:12:28Zen_AU
dc.date.issued2017-04en_AU
dc.date.statistics2021-11-08en_AU
dc.description.abstractA combination of time-of-flight neutron diffraction and synchrotron X-ray powder diffraction has been used to investigate the thermal expansion of a synthetic deuterated natrojarosite from 80 to 440 K under ambient-pressure conditions. The variation in unit-cell volume for monoclinic jarosite over this temperature range can be well represented by an Einstein expression of the form V = 515.308 (5) + 8.5 (4)/{exp[319 (4)/T] − 1}. Analysis of the behaviour of the polyhedra and hydrogen-bond network suggests that the strength of the hydrogen bonds connected to the sulfate tetrahedra is instrumental in determining the expansion of the structure, which manifests primarily in the c-axis direction. © International Union of Crystallographyen_AU
dc.identifier.citationBrand, H. E., Scarlett, N. V., & Knight, K. S. (2017). Thermal expansion of deuterated monoclinic natrojarosite; a combined neutron–synchrotron powder diffraction study. Journal of Applied Crystallography, 50(2), 340-348. doi:10.1107/S1600576717000188en_AU
dc.identifier.issn1600-5767en_AU
dc.identifier.issue2en_AU
dc.identifier.journaltitleJournal of Applied Crystallographyen_AU
dc.identifier.pagination340-348en_AU
dc.identifier.urihttps://doi.org/10.1107/S1600576717000188en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/12367en_AU
dc.identifier.volume50en_AU
dc.language.isoenen_AU
dc.publisherJohn Wiley & Sons, Incen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectThermal expansionen_AU
dc.subjectSynchrotronsen_AU
dc.subjectDeuteriumen_AU
dc.subjectGeometryen_AU
dc.subjectHydrogenen_AU
dc.subjectNeutronsen_AU
dc.titleThermal expansion of deuterated monoclinic natrojarosite; a combined neutron–synchrotron powder diffraction studyen_AU
dc.typeJournal Articleen_AU
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