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Figure 3
Joint refinements of SPring-8 high-resolution synchrotron PXRD data (left) and selected NOMAD time-of-flight NPD data (right) for the samples synthesized at (a) 340, (b) 390 and (c) 440°C. The additional NPD datasets from the other data banks and the corresponding fits may be found in the Supporting information. The insets show the low Q region of the PXRD data and illustrate the presence of the additional superstructure peaks arising from vacancy ordering in the structure. The main results obtained from the Rietveld analyses are summarized in Table 2[link] and further details about refined parameters may be found in the Supporting information.

IUCrJ
Volume 8| Part 1| January 2021| Pages 33-45
ISSN: 2052-2525
https://doi.org/10.1107/S2052252520013585