Out of curiousity, I'm wondering, do many people use ionic scattering
factors instead atomic ones for Rietveld refinement?
Cheers,
Jon
Lubomir Smrcok wrote:
Just one question : have you asked your supervisor before sending such a
mail ? Though I understand your position it seems that you are not very
familiar with the background of the method ...
lubo
On Thu, 26 Feb 2009, veron wrote:
Hello. I am a PhD student and need your help.
I am currently investigating the structure of an aluminosilicate with
boron
substituted for aluminium by X-ray diffraction. Using Rietveld
refinement, I
am trying to determine the respective positions of the boron and
aluminium
sites within the structure, as well as their occupancies, and to
follow the
structural evolutions when the boron content increases. Unfortunately,
there
seems not to be any tabulated scattering factor for B+3, neither in the
refinement softwares (I use Fullprof) nor in the International tables for
X-ray crystallography?
Could someone tell me what the correct procedure for my study would be? I
first tried to define all the atoms as neutral and I am quite happy
with the
fit obtained. But this does not really sound true. Should I better use
Al3+,
Si4+, O2- and Be2+ (same electron number than B3+ but probably not the
same
sin/theta*lambda evolution) ?
Thanks for your help.
Emmanuel Véron
CEMHTI-CNRS
Orléans-FRANCE
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Emmanuel Veron
CNRS - CEMHTI
Tel. 02.38.25.55.32
Mail ve...@cnrs-orleans.fr
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