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Figure 2
(a) XRD and (b) PDF for the ZrO2 nanocrystal size series. (c) Experimental and calculated PDFs for the ZrO2 nanocrystal size series fitted with P42/nmc. The refined crystallite size (psize) and Rw value (goodness of fit) are indicated. Other refined parameters are given in Table S4. (d) Surface-to-volume ratio and surface-to-core atom ratio for ZrO2 nanocrystal size series. The intensities of the XRD patterns have been normalized for better visualization. The particle size was determined from the corresponding PDF refinements and is shown in the figure. In the calculation of the surface-to-atom ratio, a surface thickness of 0.4 nm was assumed and only Zr atoms were considered for quantification.

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APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 3| June 2025|
https://doi.org/10.1107/S1600576725001761
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