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Figure 3
(a) PDF of the YSH48 sample annealed at 900 °C modelled in the ranges 0–50 (top) and 4.5–50 Å (bottom) with the c-HfO2 crystal structure. (b) Comparison of (top) the PDF residual curves from 0–50 Å fits of YSH48 samples annealed at 600, 900 and 1200 °C, and (bottom) the PDF obtained by Fourier transformation of the diffuse contribution from Rietveld refinement of the YSH48 sample annealed at 1200 °C (see Fig. S23). (c) Zoom-ins of the first, third and sixth M—M (M = Hf4+, Y3+) peaks in the PDFs of samples annealed at 600 °C. Black arrows indicate the shift in peak position as the Y3+ concentration is increased.

IUCrJ
Volume 13| Part 4| July 2026|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252526003829