Hi , When I have refined atomic occupation, I have wrote the same codeword, ( integer part) for both atoms in the same site and changing the decimal part, in 0.5,( in order to do a small variation) , in this way you can correlate the values for the elements present in the crystallographic site, I hope this help you.
Miguel Hesiquio-Gardu�o Profesor Asociado C Departamento de Ciencia de Materiales Academia de Ciencias de la Ingenier�a ESFM-IPN > Hello to everybody. > > I'm trying to rifene the mixed phase Y1-xLaxBa2Cu3O7 with fullprof. > For the YBaCu2O7 phase the occupation factor for Y site is 0.125 (Pmmm > group). > For x=0.5 in the mixed phase, the occupation factor at Y and La site is > 0.0625 > respectively. Can everybody tell me how can i use the codewords in order > the > refined site have the appropriate sum 0.125? > > Thanks. > Dr. Tasos Gadis > Physics Department - Athens University. > -- > >
