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Figure 4
(a) X-ray and (b) neutron angle-dispersive powder diffraction simulations (Crystallographica, Oxford Cryosystems, Ltd) for pure PbZrO3. The angular range shown corresponds approximately to that shown by Aoyagi et al. (2002BB1) and by Kuroiwa et al. (2005BB10) in which the sensitivity to small structural parameter changes was high. Black: model 1 – all atoms isotropic; red: model 2 – Pb atoms disordered along 〈110〉; blue: model 3 – anisotropic O atoms.

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