Re: [Ifeffit] Clarification needed on the structured 2nn peak

2010-07-06 Thread Matt Newville
Dear Varadarian, I didn't look at your attachments, but have you considered that there might be some Cd-Ca in the second shell? I didn't see what value of x you had in Cd(1-x)CaxO, but if the oxides form a solid solution one might naively expect the second shell to have (1-x) Cd and x Ca coordi

Re: [Ifeffit] Ifeffit Digest, Vol 89, Issue 3

2010-07-06 Thread Varadarajan Sridharan
Dear Matt, I agree to your point. AS of now I am not attempting to fit the Ca substituted system for two reasons 1.I am specifically looking for the "cause" for the structure in the second peak. The structure is present in the calculated CdO Chi(R) plot itself. 2. Apart from that when I

Re: [Ifeffit] Clarification needed on the structured 2nn peak

2010-07-06 Thread Kaustubh Priolkar
Dear Varadarajan, Infact if you look at the magnitude of FT's of all compounds together in Athena, you can see the evolution of "double peak" with increasing Ca in CdO. Therefore it should be most likely due to reasons pointed out by Matt in his mail. cheers Kaustubh - Original Mess