maybe I missed the latest development in Rietveld refinement: Is the
up-to-date software able to pay respect to thermal expansion using
(refinable ?!) expansion coefficients?
I would never try to refine both spectra alltogether. It is not only the
temperature factors being different. Additionally, the lattice parameters
will differ.
(You possibly will have excluded an arising phase transition by visual
estimation, otherwise you will deal with a completely new structure?)
Best wishes
Carsten
PS: If there is a software that can do the work suggested above, please
give me a hint!
>>I am doing a dual refinement of xray and neutron data using gsas. The
>>xray data was collected at room temperature and the neutron data was
>>collected at 4K. The problem is that the 2 histograms share the same atom
>>parameter file where the temperature factors are located for each atom.
>>Since the different data was collected under such different conditions the
>>temperature factors should be quite different. Is there any way to
>> vary the temperature factors separately for each histogram?
Carsten Schinzer ---------------------------------------
Institut de Chimie de la Matiere Condensee de Bordeaux
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