Rietveld profile analysis technique

The technique of Rietveld profile analysis has already been mentioned in the context of X-ray powder diffraction, but it was with neutron powder diffraction that this technique originated. The fact that the neutron scattering factors are almost invariant with smOA means that the intensity of the data does not drop off at high angles of 6 as is the case with X-ray patterns, and so a neutron powder pattern tends to yield up considerably more data. 

At very low temperature (5 K), the positions of D2 molecules in the MOFs are relatively static, which allows use of neutron powder diffraction techniques to determine the positions of D2 molecules. The Rietveld profile analysis of... 

Quantification of the relative abundance of crystalline phases in a multiphase mixture is an everyday problem in a wide range of applications. Common examples are evaluation of the yield in inorganic synthesis and catalytic processes, characterization of raw mineral materials for industrial processes, quality check of fired ceramic products, and many more. While in most cases the required accuracy level of the analysis is a few percent at best, in particular cases such as in the quantification of phase contaminants in technologically important materials, or of hazardous and toxic phases in environmentally dispersed aerosols, the required level of accuracy must be substantially lower than 1 wt% relative abundance. Accuracy levels of 2-3 wt% are commonly reached if standard procedures of quantitative phase analysis by diffraction data are properly performed. Generally employed analytical methods include the internal or external standard method, the matrix flushing method, and the reference intensity ratio method. Very recently, the availability of analysis techniques of powder diffraction data based on full-profile (Rietveld method), originally developed... 

A third problem with simulation of high resolution diffraction data is that there is no unique instrament function. In the analysis of powder diffraction data, the instalment function can be defined, giving a characteristic shape to all diffraction peaks. Deconvolution of these peaks is therefore possible and fitting techniques such as that of Rietveld can be used to fit overlapping diffraction peaks. No such procedure is possible in high resolution diffraction as the shape of the rocking curve profile depends dramatically on specimen thickness and perfection. Unless you know the answer first, you cannot know the peak shape. 

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