The image which I have attached, what does the red marks means and the blue ones too. Also automatically the angle also every time in each refinement get marked on its own, why so?
Also I have used pseudo-voigt with axial divergence to refine my XRD peaks. Does the ETA and X value needs to be positive or they can go negative too, like here in the image attached.
I am asking all of this because I don't think these software or the way I am doing the refinement are correct.
You are checking the parameters for the refinement, which cannot be changed due to the symmetry reasons. a = b and angle should be 120 °. Therefore, trying to refine the parameters shows you warning.
Thank you Michal Hegedus for your response. Can you tell me what does the blue mark tell us then in the image sir?
would like assistance with the refinement of Na₃Zr₂Si₂PO₁₂ (NASICON). I have been experiencing some challenges in refining this phase.
Below are the steps I've used:
Scale factor
Zero-point detector
First background
Lattice parameters
Peak shape (Eta, X, U, W, IG, V)
Atomic positions
Occupancies
B-ISO (individual)
Dalitso Mwanza have you first verified whether you have synthesized single phase or does multiple phase exist exist in your sample.
Dalitso Mwanza Its not necessary to perform last three steps until you have doped your samples. Can you show your data and what issue you are facing.
Here is the data after implementing those steps.
N.B : This an XRD pattern for the commercial Na3Zr2Si2PO12
Dalitso Mwanza check your refinement you have so many extra phases and peak specially between 10 to 20 degree and ahead also. That is why you have chi square value.
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