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[求助]
关于Rietveld refinements的审稿意见求助
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1.Refining oxygen coordinates from the XRD data in the presence of heavy metal atoms is difficult and normally requires imposing at least some constraints. I doubt if the Biso parameters can be refined independently for all the oxygen sites, especially in the presence of disorder for several of the oxygen positions. 2.Some of the refined Nb-O distances are unphysically short (e.g. 1.57 Å, 1.62 Å  , which suggests that the refinements were under-constrained. The authors have to check the soundness of their structural models. 第一次投稿就遇到这么大的问题，有没有高手能指点迷津。constraint怎么加呀？我该怎么回复呀。 |
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