[Ifeffit] Silent Oxygen

Bruce Ravel bravel at bnl.gov
Tue Apr 18 13:34:36 CDT 2017

On 04/18/2017 11:10 AM, Fuxiang Zhang wrote:
> Hi, all,
> I am in studying the EXAFS of perovskite and clearly see the split of
> the first peak after ion irradiation. It should come from a symmetry
> change, so I use a tetragonal model (instead the original cubic) which
> contains two independent O sites. However, after running Atoms and
> Feff, all paths are contributed by only one O atom and nothing related
> to another Oxygen atoms (see attached file). As a result it may
> be difficult to get a good fit of the first split Ta-O peaks. I am not
> sure if it is true or something wrong.
> Thank you very much

A fairly common question here on the mailing list.  This is a *feature* 
of Artemis, not a bug.


If you want to /model/ a split in distance, you can drag that path into 
the path list twice and adjust the delta R and amplitude parameters 


  Bruce Ravel  ------------------------------------ bravel at bnl.gov

  National Institute of Standards and Technology
  Synchrotron Science Group at NSLS-II
  Building 743, Room 114
  Upton NY, 11973

  Homepage:    http://bruceravel.github.io/home/
  Software:    https://github.com/bruceravel
  Demeter:     http://bruceravel.github.io/demeter/

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