[Ifeffit] Atomic concentration

Bruce Ravel bravel at bnl.gov
Wed Feb 24 19:56:17 CST 2010

> Dear Bruce,
> I have a question about ATOMS application. I  would like to get input file
> of stoichiometric SrBi2Ta2O9 (SBT) and off-stoichiometric
> Sr0.8Bi2.2Ta2O9(offstoich-SBT) with space group of A2
> 1am. How can I get the right crystal coordinations by changing the atomic
> concentrations; i.e. decreasing Sr to Sr0.8 and increasing  Bi2 to Bi2.2 in
> off-stoichiometric Sr0.8Bi2.2Ta2O9 ?
> Best Regards
> -- 

I have forwarded this to the Ifeffit mailing list, which is the right place 
for questions like this.  Here's some info about the mailing list as well as 
some hints on how to get more information about XAFS:


You question seems a little unclear and open-ended.  Question 15 at


might help.  Perhaps someone else on the list has some advice for you.


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

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
 Building 535A
 Upton NY, 11973

 My homepage:    http://xafs.org/BruceRavel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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