Hi Mehdi,

Why don't you look up the textbook "Rietveld Refinement: Practical Powder Diffraction Pattern Analysis using TOPAS" by R. Dinnebier, A. Leineweber, and J.S.O. Evans? There are also somee tutorials on the internet.

Good luck,

Andrzej

Dear @andrzej,

I was not aware of this book. I will sure take a look at. Thank you for your suggestion.

Mehdi

Mehdi Soleimanzade Do you want to do a structure solution?

Yes dear @maykel,

As I mentioned before from powder diffraction pattern.

Thanks

Mehdi

Is it a new structure, not in your database? Because for practical reason, most inorganic structure are well covered by PDF, COD, etc.

The structure solution is quite tricky because your ample must be single phase, very high in peak to bkg ratio, free from: graininess, texture/PO, anisotropic broadening and peak overlap. Further, either charge flipping or simulated annealing will depend on your data.

Anyway what is your material?

Here is round robin example for you to try:

http://www.cristal.org/SDPDRR3/index.html

Yes dear Maykel Manawan

I used ICDD PDF4+ and I quite sure it is a new phase, however not sure if it is a single phase. I am quite familar with FOX software for peak indexing but I saw from a youtube presentation from professor Peter W. Stephens

" https://www.youtube.com/watch?v=DFskEbyfHqE&t=1723s " that it can be done also very nice and clean by TOPAS. Because of that I become interested in that. I use TOPAS for Rietveld refinment and phase quantificaion not for indexing powder diffraction.

P.S. my sample is inorganic a family of thiophosphates.

Thanks again.

Mehdi