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. 2014 Oct 28;1(Pt 6):550–562. doi: 10.1107/S205225251402065X

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© Welberry and Goossens 2014

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

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(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 or . (b), (e) and (f) are based on Figs. 2(a), 4(b) and 6(b) of Paściak et al. (2012 ▶).

Inline graphic — (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 or . (b), (e) and (f) are based on Figs. 2(a), 4(b) and 6(b) of Paściak et al. (2012 ▶).