> Dear Matt, we have determination of unit cell parameters from powder data, using the following software: POWDER X for treatment of data, DICVOL04 for determination of unit cell parameters and crystalline system, NBS*AIDS83 for Least squares refinement of peak positions without internal standard. If you want, I can send you them.
Best regards, Mario Macías UIS, Colombia. 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/> >
