Dear all,
I have an XRD pattern of a sample containing mainly two phases ZrW2O8 and unreacted ZrO2 (there are a few tiny reflections too). I was trying to find out how much (by weight) of each phase I have in the sample using Rietveld method. I fitted all ZrW2O8 and ZrO2 peaks and then proceeded to refine the phase fraction parameter. Interestingly, I got two different ratios in GSAS and GSAS-II. 70:30 in GSAS and 51:49 in GSAS-II of ZrW2O8 vs ZrO2. By comparing the intensities of the reflections of the two phases, 70:30 seems more reasonable but how do I know for sure? My question is: how does GSAS and GSAS-II calculate these values (are they different methods/equations?). Also the given ratios, are they by weight? Or I'm supposed to do further calculations to find weight fractions. Kind Regards, Othman Al Bahri The University of New South Wales - Sydney
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