[Ifeffit] Using Larch to analyze uranium compounds

[juejing.liu at gmail.com]

Hi, 

 

I am recently trying to use Larch to fit XAS spectra of uranium compounds
(e.g., UO2, using an existing CIF file). I did not achieve a good fit and
the amplitude of the model is way lower than the data. Then I tried to plot
the uranium oxygen 1st path with all 8 atoms a sigma2=0.001 by using the
plot model function. The resulting scattering peak is still far lower than
it should be (images below). Did I do something strange with the program?

 

The Larch version I used was 0.9.59. I can send the cif file and the UO2
data I used if necessary.

 

Best,

 

Juejing

 

  

 

 

Juejing Liu

Guo Group

Materials Science and Engineering program

Alexandra Navrotsky Institute for Experimental Thermodynamics

Washington State University
Pullman, WA  99164-4630
Office: Fulmer Hall, Room 630
Phone: 208-206-7304

 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20220520/22eb5220/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: image001.png
Type: image/png
Size: 44310 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20220520/22eb5220/attachment-0003.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: image002.png
Type: image/png
Size: 60871 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20220520/22eb5220/attachment-0004.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: image003.png
Type: image/png
Size: 53383 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20220520/22eb5220/attachment-0005.png>