[Ifeffit] Query regarding inequivalent sites in the EXAFS fitting

Dear Bruce, Could you please tell me if there is an option to do the EXAFS fitting for a compound having the absorbing atoms at two inequivalent crystallographic sites. For example, In Ca3Co2O6 compound, the Co ion occupies two inequivalent crystallographic sites with the Co1-O bond distance at 1.960 and Co2-O at 2.09 Ang. How does one invoke the contribution of both the bond distances in the first shell fitting? Best regards Bindu Dr.Bindu R. Visiting Fellow DCMP&MS Tata Institute of Fundamental Research Homi Bhabha Road Colaba Mumbai-400 005 India Mobile-919892536830 --------------------------------- 5, 50, 500, 5000 - Store N number of mails in your inbox. Click here.