yes, from XRD you can identify the previous phases but the clear presence of these phases need to be crystalline enough and from the intensity counts of the main lines of both phases you can determine their ratio to each othe
thanks for answers.should I use any software? Should I calculate the ratio of peak height only?should I peak several peaks ?both phase has some common peaks.what should I do about these
Diffractograms are accompanied with tables containing the lines of XRD and in many new instruments these lines were identified automatically just search for XRD cards for the compounds you need by aiding XRD technician and determine the the most intense peak in both compounds
Umma Habiba Take the most intense peak of respective phase about which you want to know. Any software is not required and you can take see the data and select the most intense peak. Origin software is enough for this.
I am very grateful to you both.Thank you very much. I have understand your explanation. Can you provide me any relevant paper just to know how they are presenting in research papers? Thank you
Responses by the previous respondees are prone to error when attempting to use "the most intense peak". These methods should be left in the 20th century. Rietveld full pattern methods should be utilised in modern laboratories today to determine phase composition by XRD. Freeware Rietveld software you could use is programs such as GSAS, while commercial software from Bruker and Panalytical to name but two suppliers is also available. You will find considerably more accurate results by such methods. One word of caution. Whatever method or software you use please consider very carefully how your sample is prepared and presented to X-rays. Even the best Rietveld programs will struggle to give you an accurate answer if you are using poorly prepared samples. As mentioned by S.A.El Molia, above, should either or all of your phases be poorly crystalline or XRD amorphous then XRD is not a recommended method for such a determination.
First, one must point out that the use for this purpose, as increasingly mentioned in the litterature, of simple ratios of net intensities (either of the most intense peaks or not) is erroneous. In fact, the X-rays "diffraction power" of the crystalline phases, present in the sample, must be taken into account; this feature is specified by the I/Icor (cor. for the corundon Al2O3 used as internal etalon) ratio, generally mentioned in the JCPDS or ICDD card of the corresponding phases. This calculus can be done manually or through softwares like EVA (Brukers) or X'Pert HighScore (Philips). The obtained values are considered as the mutual fractions of the corresponding crystalline phases, independantly of the presence or not of amorphous parts. Now, a better method consists of using the Rietweld refinement with the corresponding structural models (obtained, for example, from the ICSD database); this refinement can assimilate the possibility of variation of lattice constants as well as the presence of chemical substitutions or vacancies on atomic sites, preferential orientation, amorphous parts (masked in the background form)....Basically, the phase fractions are deduced from their corresponding scale factors and can be obtained with Rietveld refinement softwares like Topaz. It is clear that in both methods, the absolute phase fractions cannot be determined with the presence of amorphous component.
thank you for your valuable description.is the software free? is there any tutorial that I can learn the software. or can I get any research paper that author used the software
i think you can know the amount of different phases by XRD. Your experimental profile is in not so good condition (to be used in free open source softwares) but you can try fitting the data. If possible, please repeat the experiment and obtain a good profile, then, analyssis job would be relatively easy.
You need cif data files for phases with elements like P, C, H, Ti, O and oridinary anatase/rutile, Na-Ti-O etc to completely analyse your data. one also required knowledge of crystal size and shape texture etc.
I hope you have published 2theta vs Intensity data. assuming that your data is 2 theta vs Intensity data, i have suggested. cif data files are availbale at ICSD data base and also in COD data base. If your material is not "new". That is if these materials crystal structure is already known. Then we can easily perform quantitative phase analysis.
Have you used Rigaku instrument for experiment? Answer to this question is optional
It is not a problem? since, I could not able to open your data file in Panalytical format in FULLPROF program. If you have collected cif files then you can create pcr files and weight fractions can be determined by refinement.
More details are available in Fullprof website.
Alternatively, you can use MAUD program and there are many paid programs.
In panalytical software also you can estimate the quanitity of phases.