As people pointed out, thermal factors are underestimated (even negative) if absorption is not corrected for. If you type "absorption" (or absorbtion :-) into the search field of the Rietveld archive http://www.mail-archive.com/[EMAIL PROTECTED]/ you will find an earlier discussion on this.
Alan. (BTW, could winmail users not attach the "winmail.dat" file please). Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]> fax (33) 4.76.20.76.48 (33) 4.76.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/AlanHewat.htm ___________________________________________________________