April 2010 - Ifeffit - millenia.cars.aps.anl.gov

EXAFS related querry
by Jatinkumar Rana 15 Apr '10

15 Apr '10

Dear Bruce, I am trying to fit EXAFS data for Arrojadite (a naturally occuring phosphate mineral) measured on Fe-edge. When i load crystallogrphic file in to FEFF, i get Degeneracy (N) for all path as 1 or 2. I know from the crystal structure of Arrojadite that it is not true. Kindly help me in solving this problem. Best regards, Jatin

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EXAFS related querry
by Jatinkumar Rana 15 Apr '10

15 Apr '10

Dear Bruce, I am trying to fit EXAFS data for Arrojadite (a naturally occuring phosphate mineral) measured on Fe-edge. When i load crystallogrphic file in to FEFF, i get Degeneracy (N) for all path as 1 or 2. I know from the crystal structure of Arrojadite that it is not true. Kindly help me in solving this problem. Best regards, Jatin

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Re: [Ifeffit] Emission spectra of Cobalt (Timna-Josua Kuehn)
by Timna-Josua Kuehn 14 Apr '10

14 Apr '10

Hi Joshua, thanks for this explanation of the XES command. I was not aware of it. However, I can not find the data file of the XES simulation yet, although no error is reportet! There is some file called "xsect.dat", where something about "em" is written, but there are no XES spectra in it. Does one have to process this file's data or even some more files? Regards Timna-Josua Kuehn > Date: Mon, 12 Apr 2010 11:19:17 -0700 > From: Joshua Kas <joshua.j.kas(a)gmail.com> > > Hi Timna, > The energy arguments for the XES in FEFF84 are energies of the valence > electron relative to vacuum, so emin should be a negative number. > Try > XES -20 0 0.3 > This should capture at least some of the XES. You can play with emin to get > the range right. Note that the number of energy points in FEFF84 is fixed, > and if you specify a small energy step (the third parameter) you will not > achieve the full range that you specify. > Cheers, > Josh Kas > > > > Date: Mon, 12 Apr 2010 12:47:11 +0200 > > From: "Timna-Josua Kuehn" <timjoku(a)uni-bonn.de> > > > > Dear all, > > > > I am trying to simulate Cobalt Kbeta emission spectra. Actually I just > > exchanged the XANES card with XES, as is explained and set emin = 7700 eV > > and > > emax = 7800 eV with estep = 100 to calculate the whole Co Kbeta line at > > 7649.43 eV. > > But I do not find a file that contains the emission data. I am thankful > > for each helpful advice. > > > > Best regards > > > > Timna > > > > > > > > Timna-Josua Kuehn (PhD student) > > Synchrotron Radiation Group > > Institute of Physics > > University of Bonn > > Germany

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Emission spectra of Cobalt
by Timna-Josua Kuehn 12 Apr '10

12 Apr '10

Dear all, I am trying to simulate Cobalt Kbeta emission spectra. Actually I just exchanged the XANES card with XES, as is explained and set emin = 7700 eV and emax = 7800 eV with estep = 100 to calculate the whole Co Kbeta line at 7649.43 eV. But I do not find a file that contains the emission data. I thankful for each helpful advice. Best regards Timna Timna-Josua Kuehn (PhD student) Synchrotron Radiation Group Institute of Physics University of Bonn Germany

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Cr(III) adsorbed to or coprecipitated with iron oxides
by Luxton.Todd＠epamail.epa.gov 08 Apr '10

08 Apr '10

I am trying to track down spectra of Cr(III) adsorbed to or coprecipitated with iron oxides. Any data would be great. Thanks Todd Luxton PhD. Post Doctoral Research Soil Scientist U.S. Environmental Protection Agency National Risk Management Research Laboratory Land Remediation and Pollution Control Division 5995 Center Hill Ave. Cincinnati, OH 45224-7879 Luxton.Todd(a)epa.gov Office: (513) 569-7210 Fax: (513) 569-7879

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raw xmu data of fe foil
by Neetu parsai 07 Apr '10

07 Apr '10

Hi, Can anyone give me raw xmu data of fe foil at room temperature that I need for some data analysis. Thanks Mrs.Neetu Parsai Head Department of Engg.Physics Sanghvi Innovative Academy Indore. Residence: 130 Hemu colony, New G.D.C.Road, Indore-452015(M.P.) India.

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No background subtraction in some cases?
by Alexander Riskin 02 Apr '10

02 Apr '10

Dear all, Recently we've measured samples at the DUBBLE Beamline at ESRF for iron and molybdenum (K-edge). After measuring, the DUBBLE software generates a .dat file which must then be translated to other files (depending on the fact whether transmission or fluorescence is measured) using some script in linux. When we try to import some of these transformed files (for transmission measured) into Athena however, the program fails to subtract a background from mu(E), therefore no k and R-space plots are available (see project files MoPEL002 and MoPEL004, the original dat.sample files are included in the zip files). Other files however, work fine (both transmission and fluorescence measured ones). After analyzing the structure of the .dat files, it was discovered which columns are the Io an It data and the correct ln(Io/It) could be manually generated. This manual procedure yields data sets identical to the ones in the dat.sample files, we named them dat.good files. When importing these files into Athena, the background subtraction works fine. It is the exact same data however... Although the problem can be bypassed by processing the data manually, the fact that Athena processes some files correctly and others not seems very strange to us since they all come from the same beamline. We thought it would be interesting to let you all know. Thanks for your time and for making such wonderful software, Alexander Riskin -- Alexander Riskin Universiteit Hasselt IMO - Inorganic and Physical Chemistry Agoralaan – Building D BE-3590 Diepenbeek / Belgium tel. +32.(0)11.26.83.94 fax. +32.(0)11.26.83.23 email: alexander.riskin(a)uhasselt.be

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