Research data supporting 'X-ray pair distribution function analysis, electrical and electrochemical properties of cerium doped Li5La3Nb2O12 garnet solid-state electrolyte'



A Bruker D8 X-ray diffractometer (XRD) with a CuKα radiation and linear position sensitive detector was used to collect X-ray diffraction data. Patterns were recorded over the 2θ range 15° to 80° with a 0.02° step size. Structural refinement was carried out with the GSAS suite of Rietveld refinement software using the XRD data. Total scattering data were collected at the I15-1 XPDF beamline at Diamond Light Source, UK. Powdered samples were loaded into borosilicate capillaries (1.5 mm OD, 1.17 mm ID) and spun perpendicular to the beam during data collection to improve powder averaging. Scattering data were collected at an X-ray energy of 76.69 keV using a Perkin Elmer XRD 4343 CT area detector placed ~200 mm from the sample. The 2-D data were corrected for polarization and flat-field, then integrated to 1-D using the DAWN package prior to processed the scattering range 0.7 Å−1 ≤ Q ≤ 25 Å−1 into PDFs using the GudrunX package. A modified Lorch Function (∆1 = 0.05 Å) was applied to suppress spurious low-r features.
Date made available2020
PublisherUniversity of Birmingham
Date of data production1 Mar 2019 - 15 Jul 2020

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