Abstract
AbstractSimple relationships exist between the individual phase scale factors derived from Rietveld analysis of multiphase mixtures and (i) the ‘reference intensity ratio’ used in traditional methods of discrete-peak phase analysis, (ii) the phase abundance itself and (iii) the relative pattern intensities in simulated powder patterns. These relationships are shown to follow naturally from the fundamental integrated-intensity phase-analysis equations provided in standard texts. In the event that preferred orientation, crystallinity, extinction and/or microabsorption cannot be adequately incorporated into the Rietveld models for individual phases, it is demonstrated that the Rietveldab initio‘pattern intensity constants’ can be scaled/calibrated experimentally, as in other whole-pattern methods of analysis, while retaining all the advantages of the Rietveld method.
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