The open-data folder comprises five sub-folders containing three distinct types of datasets: XRD diffraction data, neutron diffraction data, and TEM images. The neutron diffraction data were acquired at the Polaris beamline of the ISIS Neutron and Muon Source, with raw data provided in DAT, RAW, GSAS, and NXS formats. XRD diffraction measurements were performed at room temperature using a PANalytical Empyrean X-ray diffractometer with monochromatic Cu Kα₁ radiation over a 2θ range of 10–90°. The raw powder XRD data were provided in standard XRD data formats and were subsequently processed in Microsoft Excel. To facilitate further visualisation of these datasets, VESTA, GSAS-II and WinXPOW were employed. TEM electron diffraction data were collected using an FEI Titan Themis scanning transmission electron microscope, with the raw data stored as TIF and TIFF files. For data processing and visualisation, SingleCrystal ImageJ were used. Diagrams were plotted and formatted using Origin and Microsoft PowerPoint.
| Date made available | 12 Mar 2026 |
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| Publisher | University of St Andrews |
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