Towards joint high-pressure x-ray and neutron single-crystal diffraction
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Date
2017-01
Journal Title
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Publisher
International Union of Crystallography
Abstract
Diffraction 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 Crystallography
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Keywords
Neutron diffraction, Laue method, Pressure range mega pa 10-100, Joints, Grain refinement, X-ray diffraction, OPAL Reactor, ANSTO
Citation
McIntyre, 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/S2053273317085199