Le-Bail and Pawley methods give extra freedom to intensities which may lead to adverse correlations between peak intensities and shape especially for noisy and overlapped data. In Rietveld refinement the intensities are restrained by the structure model and the instrument-related parameters, so if the parameters are chosen correctly you have a chance to reduce the correlations and obtain more accurate results. Unfortunately, it is not always easy to choose structural and instrumental parameters correctly enough. Anyhow, it is better to try both variants and see the difference that might give, besides, an estimation of the uncertainties.
Regards, Leonid Solovyov >Dear All, > >I was wondering if there are any advantages of using Rietveld vs Le > Bail >refinements when crystallite size and cell parameters are the only >variables of interest? > >Thank you, >Sergey > __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
