I have synthesized Iron Oxide material by chemical synthesis method and it contains two mixed phases as hexagonal Fe2O3 and cubic Fe3O4. Rietveld Refinement of mixed phases has been carried out in FullProf Suite using CIF files for Fe2O3 (hexagonal) and then Fe3O4 (cubic). I am confused about the outcome of the refinement. My question is, after refinement, what is the possible crystal structure? Please, anybody suggest me the solution. Thank you in advance..
The answer could be 1) one major phase + minor phase 2) one of the two phases 3) mixture of the two. It is not necessary that you will get monophase materials without additional calcination. To make your analysis correct it is better to try match phases one-by-one and than two together. Pay attention to GoF and Rw coefficients (lower is better).
I hope this reference can help you to better understand the Rietveld Refinement method:
Article Reitveld Refinement Guidelines
Thank you Mr. @Alexander Khort, Mr. @Abhinav Kumar Singh, Mr. @Márcio Mafra for reply. As suggested, with individual phases and then with the combined one, I have analyzed the XRD data. Now I need to find the percentage of phases present or phase purity i.e. phase fraction. How can I calculate it from the Rietveld refinement?
@suraj You will get phase fractions in a summary (.sum) file present in the same directory in which your .pcr is.
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