Hi elsa,
You can open the cif file with a text editor and check the parameters in the
atoms page against what you find in the cif file.
Sometimes a shift vector is needed. Check the messages in artemis for the
possible values to try.
If none of these work. Try sending us the cif file.
Good lu
I am trying to use the following CIF files to
generate the feff path at the As edge:
1- 'Iron(III) arsenate(V) dihydrate', Scorodite,
H4 As Fe O6'; space group P c a b; number 61; orthorhombic
and
2. Iron(III) tris(dihydrogenarsenate) pentahydrate
Kaatialaite, Fe (H2 As O4)3 (H2 O)5, P 1
Thanks Matt,
now I realize that I can directly change de Eo in the Athena window,
Elsa
At 14:00 30/09/2010, you wrote:
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Hi Elsa:
As Matt suggested, you want to change E0 in Athena to produce a new chi(k)
spectrum. You can read the theoretical chi(k) spectrum that you made with
E0=0 into Athena, adjust E0 for the measurement, and then plot in k the data
and theory to see them match at low k.
I encourage you to pok
Hi Elsa,
On Thu, Sep 30, 2010 at 10:33 AM, Elsa Sileo wrote:
>
> Dear Matt,
>
> I have to perform EXAFS analysis, and when I tried to fit the first
> shell, I found deltaE0 values of about 8 eV. Following the paper of
> Kelly et al (Analysis of soils and minerals using X-ray absorption
> spectros
It is because you made delta E0=0, but the fit gave you delta E0=8. Since the
fit agrees with the data in k-space at low wavenumbers (I assume), then the
signal with delta E0=0 should not, and vice versa.
Anatoly
From: ifeffit-boun...@millenia.cars.aps.anl.gov
Dear Matt,
I have to perform EXAFS analysis, and when I tried to fit the first shell, I
found deltaE0 values of about 8 eV. Following the paper of Kelly et al
(Analysis of soils and minerals using X-ray absorption spectroscopy. In Methods
of soil analysis, Part 5: Mineralogical methods; 2008;
Dear All,
Does anyone has an EXAFS spectrum of gama Fe foil, or Fe foil spectrum measured
at high temperature (more than 1000 degree).
If you have this measurement, would you please send me a copy of the data. I
would like to compare with our recent measured EXAFS spectrum.
Thanks a lot in adv
