Re: [sdpd] will someone give me a hand?

[Armel Le Bail <alb...@cristal.org>]

>   I am just getting started in the Rietveld refinement method with 
> fullprof, i have refined one sample of Al2W3O12, but the result is not 
> well,and i cannot improve it . i wonder to know if somenone will give me 
> some advice on it to improve the Rf and Rwp.

Your best fit is obtained at the expense of O atoms
at wrong positions, huge preferred orientation, wrong
occupancy numbers, etc.

So, it is only possible to get a worse fit, but with
more reasonable atomic coordinates, correct W
occupancy, etc.

Moreover, there is some impurity (WO3 probably).

The advice is to make a new and better sample and a new
powder pattern free of preferred orientation.

Best wishes,

Armel



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