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Figure 7
(a) Core-shell model definitions. (b) Plot of the average unit cell distribution resulting from the MD simulation at 10 K. (c) Calculated hk0 X-ray pattern. (d) Calculated hk0 neutron pattern. (e) Plots of correlations between the displacements of neighbouring atoms for Pb—(Nb/Mg) and Pb—O. (f) Probability plot of the displacement of Pb in the unit cells surrounding a given target cell in which the Pb ion is displaced along [111] or [[11\bar{1}]]. (b), (e) and (f) are based on Figs. 2(a), 4(b) and 6(b) of Paściak et al. (2012BB69).

IUCrJ
Volume 1| Part 6| October 2014| Pages 550-562
ISSN: 2052-2525
doi:10.1107/S205225251402065X