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Figure 4
The best three structure candidates found by the PDF-Global-Fit after the user-controlled refinement (step 5): 1 (red), 2 (black) and 3 (yellow) in comparison with the published structure determined by Rietveld refinement (blue) (Schmidt et al., 2011BB50). View along the a axis.

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ISSN: 1600-5767
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