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Figure 4
Measured and calculated 3D-ΔPDF in the y = 0.27a plane. This plane shows vectors which are all related to correlations between Co and other atoms. The top row shows the measured 3D-ΔPDF for the two representative samples, and the bottom row shows the corresponding 3D-ΔPDF calculated from the vacancy repulsion model with structural relaxations. Note that the experiment and model 3D-ΔPDF are shown on different scales. The measured 3D-ΔPDF has stronger amplitudes, indicating the model to still have something missing.

IUCrJ
Volume 8| Part 4| July 2021| Pages 695-702
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521005479