Can you set up equations in FullProf? Refine the occupancy of Ti and set occ(Fe) = 1 - occ(Ti).
Cheers Matthew ________________ Matthew Rowles CSIRO Minerals Box 312 Clayton South, Victoria AUSTRALIA 3169 Ph: +61 3 9545 8892 Fax: +61 3 9562 8919 (site) Email: [EMAIL PROTECTED] _____ From: Igor Djerdj [mailto:[EMAIL PROTECTED] Sent: Wednesday, 5 December 2007 10:45 To: rietveld_l@ill.fr Subject: occupancy Dear all, The following question is addressed more to FULLPROF users. I want to refine atomic occupancies of Fe-doped TiO2 for instance. Assuming that Ti is substituted with Fe at some sites, how can I provide that the sum of occupancies of Fe and Ti is 1 or 100%? Regards, Igor Djerdj
