Dear all, I would like to hear opinions on the best method for the most accurate determination of unit cell parameters from powder data. The literature shows several techniques are used in general, e.g., Least squares refinement of peak positions with (or without) an internal standard, Rietveld refinement (no internal standard), etc. Is perhaps the best procedure to first determine the unit cell parameter with an internal standard (and for example, least squares refinement), and then fix this during Rietveld refinement? Any thoughts are appreciated.
Also, any suggestions of personal favorites for software (preferably free) for least squares unit cell refinement (i.e., other than Rietveld) from peak positions would be welcome. Thanks and best wishes, Matt Beekman ------------------------------------------------------------------ Matt Beekman Department of Physics University of South Florida 4202 East Fowler Ave., PHY 114 Tampa, FL 33620 Phone: (813) 974-8236 Fax: (813) 974-5813 Email: [EMAIL PROTECTED] Visit the Novel Materials Laboratory Website: http://chuma.cas.usf.edu/~gnolas/<https://frontend.cas.usf.edu/exchweb/bin/redir.asp?URL=http://chuma.cas.usf.edu/~gnolas/>
