view article

Figure 13
The SCDS calculated from the model crystal resulting from the RMC fit to the PDF of a model in which the starting state already contains polar nanodomains and B-site ordering. (a) hk0 calculated from the starting model. (b) and (c) hk0 calculated from the two different RMC models, where the δPb are either allowed to swap or not. (a) Starting model with PND and B-site ordering. (b) After RMC, δPb allowed to swap. (c) After RMC, δPb not allowed to swap.

ISSN: 2052-2525