[Ifeffit] huge S02 value ??

[mzhu at udel.edu]

Hello everyone,
  I have been fitting EXAFS of NiSO4 aqueous solution. The feff files were created from Ni(OH)2 using Feff7.00. During the fitting, coordination number was fixed as 6. The S02 derived from fitting is 1.22. I tried other materials for creating feff files, such as NiCO3 and NiPO4, and I got the similar S02 values. I also tried Feff6, it did not result in a reasonable S02 value, either.
   Anyone can tell me why it led to such high S02 value? The data file and feff input file (Feff 7) are attached.   
   Thanks in advance.

Best wishes,

Mengqiang Zhu
  







-----------------------
Mengqiang Zhu
Ph.D Candidate 
Environmental Soil Chemistry
Department of Plant and Soil Sciences 
University of Delaware
152 Townsend Hall
Newark, DE 19716 
http://ag.udel.edu/soilchem/zhu.html 
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