First calculate the d- spacing from Bragg's law from your xrd data.
Next use ( h k l) values accordingly from standard pdf number data.
Finally use these values in the attached relavent equation
Ben Messaoud Ouarda
But you should know the gamma angle value before using lattice parameter equation for monoclinic structure
thanks for answer me
exactely that's my problem i don't know how calculate it?
or shoud i take angle from JCPDS fiche?
the monoclinic structure has unit cell vectors a≠b≠c, and interaxial angles α=γ=90°≠β.
You may use the following tricky way: (1) Use the diffraction plane(s) for which h = k = 0; You will get c. (2) Find two diffraction planes with h (or k) = 0, you will get b (or a) and gamma. Use the conventional equation to get a (or b). Try to repeat the three steps if possible.
Dear Ben Messaoud Ouarda
From Debey Scherrer equation, we can calculate average crystallite size (D).
Match the obtained peak (2theta) to the standard (ICDD or JCPDS) data. If the match found, in the data itself according to the crystal structure type we can find all the lattice parameters that are in corresponding to the standard data. We can also compare the obtained data with the Hemalatha Kandi provided formulae data.
Please refer below links of the given entitled article to get some relevant feedback. Kindly note that the article is not peer reviewed yet.
Qualitative Analyses of Thin Film-Based Materials Validating New Structures of Atoms. (2021), https://www.researchgate.net/publication/352830671or http://dx.doi.org/10.13140/RG.2.2.27720.65287
In X-ray analysis, changing GIA can help to understand the material’s properties in a broader perspective. From the characteristics of peaks resulted in pattern, we can get some idea about the texture of deposited/processed/synthesized material, but within the surface area dealt with the exposure of X-rays. However, by changing the position of sample and under repeated X-ray analysis, it is possible to draw the picture of texture in broader context. To study texture coefficient for a particular material, the development of a master pattern is necessary, which can be the reference pattern.
You may take the X-ray pattern of your sample by changing the GIA, i.e., 0.1 deg., 0.3 deg., 0.5 deg., 0.7 deg., 0.9 deg. you will see in the resulted pattern different scans of your same sample. In this way, you can explain the different factors related to structure of your material. At low GIA (0.1 deg.), you may get less peaks and less complicated/complex pattern, but at high GIA (0.9 deg.), you may get more peaks and more complicated/complex pattern. Please read the article to get better know how (https://www.researchgate.net/publication/352830671or http://dx.doi.org/10.13140/RG.2.2.27720.65287). Good luck!
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