Towards joint high-pressure x-ray and neutron single-crystal diffraction

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dc.contributor.authorMcIntyre, GJen_AU
dc.contributor.authorBinns, Jen_AU
dc.contributor.authorKamenev, KVen_AU
dc.contributor.authorMoggach, Sen_AU
dc.contributor.authorParsons, Sen_AU
dc.date.accessioned2021-12-20T21:43:50Zen_AU
dc.date.available2021-12-20T21:43:50Zen_AU
dc.date.issued2017-01en_AU
dc.date.statistics2021-12-13en_AU
dc.description.abstractDiffraction methods can provide the highest-quality structural information about a crystal on the atomic scale and much work has been carried out to adapt X-ray and neutron diffraction techniques to a variety of challenging sample environments, including high-pressure. The ability to influence directly intermolecular distances makes high pressure one of the most important tools at our disposal for answering one of the big questions in chemistry - the prediction and control of solid-state structure. Modern neutron Laue diffractometers with large image-plate detectors permit extensive continuous sampling of reciprocal space with high resolution in the two-dimensional projection and a wide dynamic range with negligible bleeding of intense diffraction spots, qualities that are highly suited to high-pressure crystallography [1]. Here we show that high-pressure single-crystal neutron diffraction data can be collected using Laue diffraction from a sample of hexamine in a miniature diamond-anvil cell (mini-DAC) with no significant reductions in completeness or resolution [2]. The data are of similar quality, as judged by R-factors, geometric parameters, and estimated standard deviations, to those obtained at ambient pressures. This is achieved by the ability to measure diffracted intensity directly through the body of the mini-DAC. Joint high-pressure experiments using both X-ray and neutron diffraction on the same sample are now feasible using the mini-DAC and modern neutron Laue diffractometers like KOALA on the OPAL reactor. © International Union of Crystallographyen_AU
dc.identifier.citationMcIntyre, G. J., Binns, J., Kamenev, K., Moggach, S., & Parsons, S. (2017). Towards joint high-pressure x-ray and neutron single-crystal diffraction. Presentation to the the XXIV IUCr Congress Hyderabad, India, 21-28 August 2017. In Acta Crystallographica Section A: Foundations and Advances, 73(a2), C1055. doi:10.1107/S2053273317085199en_AU
dc.identifier.conferenceenddate28 August 2017en_AU
dc.identifier.conferencenameXXIV IUCr Congressen_AU
dc.identifier.conferenceplaceHyderabad, Indiaen_AU
dc.identifier.conferencestartdate21 August 2017en_AU
dc.identifier.issn2053-2733en_AU
dc.identifier.issuea2en_AU
dc.identifier.journaltitleActa Crystallographica Section A: Foundations and Advancesen_AU
dc.identifier.paginationC1055en_AU
dc.identifier.urihttps://doi.org/10.1107/S2053273317085199en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/12588en_AU
dc.identifier.volume73en_AU
dc.language.isoenen_AU
dc.publisherInternational Union of Crystallographyen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectLaue methoden_AU
dc.subjectPressure range mega pa 10-100en_AU
dc.subjectJointsen_AU
dc.subjectGrain refinementen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectOPAL Reactoren_AU
dc.subjectANSTOen_AU
dc.titleTowards joint high-pressure x-ray and neutron single-crystal diffractionen_AU
dc.typeConference Abstracten_AU
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