Hi Abhijeet, I think that there is a problem with you structure for Cu2O. Each Cu atoms must be coordinated by more than just two O atoms in the first shell.
Shelly On Thu, Jan 21, 2010 at 1:28 AM, Abhijeet Gaur <abhijeetga...@gmail.com> wrote: > Hello Sir, > I had done fitting of a Cu2O data taken at SSRL EXAFS > beamline in transmission mode, Stanford, by my research guide > Dr. B. D. Shrivastava. > I had used here the fiting procedure as discussed before in > this mailing list. The fitted curves are coming nice, but the > values of some fitting parameters are not reliable as shown > bold below. > amp = 0.4898160 +/- 0.0469990 (1.0000) > enot = 7.6843630 +/- 0.4828620 (0.0000) > alpha = 0.0022670 +/- 0.0030950 (0.0000) > ss011 = 0.0003280 +/- 0.0013130 (0.0030) > sscu11 = 0.0174780 +/- 0.0016220 (0.0030) > sscu11o11 = 0.0470530 +/- 0.0655560 (0.0030) > ss012 = 0.0070100 +/- 0.0044660 (0.0030) > sscu12 = 0.0186980 +/- 0.0093570 (0.0030) > ss013cu11 = 0.0088980 +/- 0.0190580 (0.0030) > sscu13 = 0.0196150 +/- 0.0062940 (0.0030) > sscu13012 = 0.0084870 +/- 0.0067030 (0.0030) > sscu11cu11 = 0.0071110 +/- 0.0132390 (0.0030) > sscu12cu11 = 0.0111440 +/- 0.0139470 (0.0030) > Def parameters (using "FEFF0: Path 1: [O1_1]"): > delr = 0.0041920 > > So, if someone can please tell me that where I had done wrong or what should > I do to make things right I will be very thankful. The Artemis project > file is attached herewith. > > With regards > Abhijeet Gaur > Research Scholar > School of Studies in Physics > Vikram University, Ujjain (INDIA) > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit