I'm wondering which is the best parameter file for the XRD run if I'm going to collect the data for the Rietveld refinement? I'm going to run for 3 h but what should I include in the parameter file and create a good Rietveld refinement parameter file.
Would be great if something like this would exist.
It will always depend on what your goal with rietveld analysis is.
Structure solution/refinement; Microstructure analysis; Quantitative Analysis ?
Additionally you may first aquire a quick overview scan to really adapt the range, resolution and statistics for your purpose.
So please share with us what you want to do ...
Regards Dominique
Structure solution/refinement, focusing on getting good structure from the XRD pattern.
Good structure solutions from powder data requires the highest angle range you can reasonably get. Try to adapt the step size for a good balance between peak resolution and time requirement. A good signal to noise ratio also at high angles is essential; try variable counting rates if your software supports it (to save a bit of time). Your sample should be a near perfect powder to ensure that no preferred orientation occurs.
I don't think you will attain adequate data in 3 h.
Dear Maryam,
For Rietveld refinement to perform structural analysis using powder XRD data. You have to collect good intensive XRD data in wide 2theta range say 10-120 degree. You can use scan rate: 1 degree (data collecting time: 110 min.) or 2 degree (data collecting time: 55 min.) with step size of 0.02 degree. You can use FullProf software for structural refinement.
Regards
D. Kumar
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