How can one find the percentage of tetracalcium phosphate (TTCP) present in a sample using a XRD data? For example, in hydroxyapatite (HA), Intensity of 211 peak by Intensity of 211 peak plus Intensity of 221 peak will give the percentage of hydroxyapatite. Like this, is there any particular peak present to identify the percentage of tetracalcium phosphate?
I suggest to try with Rietveld method, that is the best method to be applied on your XRD pattern. I think that the Crystal structure of TTCP is known so the refinement is possible. For the application of RIR method you should have peaks not overlapped and in many cases this is not possible.
If your material is crystalline, rietveld method will be good. There are several discussions using this method in researchgate
I suggest to try with Rietveld method, that is the best method to be applied on your XRD pattern. I think that the Crystal structure of TTCP is known so the refinement is possible. For the application of RIR method you should have peaks not overlapped and in many cases this is not possible.
I used MAUD xrd analysis software to do exactly this in a comparison paper of HA coatings deposited using a thermal and non-thernmal technique. It uses the Rietveld method with known pattern relationships (crystallography information files, .CIF), which are readily available open source online, to infer a weight/atomic percentage of element or molecules in a given material. Please view my papers for more details, I have alrealy highlighted the required .CIF files for HA and its alternativea CaP components. There is some learning, but it is a very useful once you're familiar.
Working with peak intensities is good, but I think if you can calculate the area of these peaks and then take the ratio as you did with intensities, then the results will be more close to the actual percentage... Hope that helps...
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