You have the correct intuition. You don't want the delr to be much more than 0.1 A or so. If this is the case, you can start with the same cif and simply change the lattice parameters a small amount to give you a starting bond distancve that is closer to where you like to be. Carlo On Tue, 12 Jun 2018, ABDUL AHAD wrote:
hi all,
i have some questions to experts. if i have cif file to any compound say ZnO and i fitted the exafs data with it. Now the question is if i wish to fit the doped ZnO with the same cif and the same Enot then it shows large value of delta to fit. The question is have i look for different Enot or i have to change the cif for the doped one. Note i m talking about the main peak fit that only contain the Zn and O not the doped element. Is there any limit of delta for bond length? i think it should be small.
Thanks in advance
-- Carlo U. Segre -- Duchossois Leadership Professor of Physics Interim Chair, Department of Chemistry Director, Center for Synchrotron Radiation Research and Instrumentation Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre@iit.edu http://phys.iit.edu/~segre segre@debian.org