I prepared a material and i did not get a single crystal phase. So i would like to assess the quantity or the concentration of the second phase présent in my sample. Is this possible through fullprof?
Dear Friend Tchouank Tekou Carol Trudel
You can estimate the fractional percentages of different phases present in your sample through fullprof software.
For this, you have to refine the observed diffraction patterns of your sample with the different phases that might be present in your sample. After finishing refinement with a good fitting, check the output file and you will get the fractional percentages of different phases used during refinement.
Thank You.
I agree with Haobam Samananda Singh
I would like to add a few things. You should always start refining with the major phase present. When it is refined a bit, add the secondary phase, and refine it. Finally, cross-refine atomic and profile parameters of both the phases in different permutation or combinations. FULLPROF will adjust the relative intensity in order to get the best fit. By comparing the crystallographically expected maximum intensity of the two phases, it will provide you the percentage ratio.
If the Bragg planes of the two phases are distinct and clear, you will get an authentic phase ratio. However, if the peaks are overlapped, the obtained value can differ from the original value.
Thank you very much Souvik Bhattacharjee and Haobam Samananda Singh for your help.
Dear Tchouank Tekou Carol Trudel,
You get excellent answers here, as if you know both crystal structures. I don't know if this is the case for you. If not, the procedure may be slightly different from the one described above.
- Badges
- Science topic