I performed search/match on my XRD diffractogram to identify the material present. However, I am not sure which parameter will be the best for determining the appropriate match: hit frequency or figure of merit?
In my opinion, the software of XRD doesn't have the same ability as the researcher to set all the peaks into phases. In other words, it can suggest the phases that can better match the given peaks according to the existing database. It is best to accompany X-rays with other characterization methods such as FTIR to get at least an idea of the types of bonds in your sample.
Also, you can try to use the Match + PDF software
http://www.crystalimpact.com/match/
Regards
Dear Kendric Tee ,
First of all, acknowledging your sample and sample genesis (if natural) or synthetic route ( if synthetic) better to determine the composition of phases.
The figure of merit is an extra help in the identification; however, it is far away from being definitive.
Consider starting with the main phase of the mixture; since identified and set as matched, the residue search will be much more reliable and more assertive in identifying the minor phases.
The geo-formation pathways, if a natural sample, may give unprecedented help in the identification. Consider as well the solid-solution and phases with loss of stoichiometry.
For synthetic samples, the reactants are phases to be searched. In such kind of material, the decomposition of reactants and products is something to think about.
After identifying a phase, most search-match software can subtract it from the new search for residue checking. It helps to identify all remaining minor phases in the sample progressively.
Stacking faults, stoichiometry deviations, directional stress, preferred orientation is a step down to the correct identification. So, the appropriate sample preparation may save all further work.
Chemical data are also crucial in identifying the possible phases, and an SEM, XRF, ICP may eliminate several candidates.
Best regards,
WNM
I think , you can go for XRD matching using one of the tool like xpert highscore . it can help you to find exact phase formed in your material . hope my answer is satisfactory for you .
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