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Figure 10
(a) Observed out-of-plane 3D-ΔPDF of the extracted half-integer streaks. (b) Refined 3D-ΔPDF of the a0a0c− tilt pattern of oxygen octahedra viewed along the out-of-plane direction illustrated in the model on the left. (c) Observed 3D-ΔPDF of the extracted half-integer streaks in the u0w and u1w layers. Note that the encircled features are not covered by the a0a0c− model. In the 3D-ΔPDF map, red colors denote positive and blue colors negative 3D-ΔPDF values. Positive 3D-ΔPDF values mean that the probability of finding scattering densities separated by the corresponding vector is higher than in the average structure (= positive correlation), whereas negative values imply lower probability (= negative correlation).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1417-1427
https://doi.org/10.1107/S1600576725005837
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