Expanded Use of the Rietveld Method in Studies of Phase Abundance in Multiphase Mixtures

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.