[Ifeffit] Help with MoOx fitting

Bruce Ravel bravel at anl.gov
Wed Apr 4 16:14:52 CDT 2007

On Wednesday 04 April 2007 15:39, g d wrote:
> Hi all,
> Is there anyone having experience with MoOx fitting? The sample I have is
> MoOx supported on structured silica (most possibly with tetrahedral
> coordination, because it's R space and EXAFS is very like that of
> (NH4)2MoO4). The only standard atom.inp files I have are MoO3.inp and
> MoO2.inp. I didn't get good fitting with these two. Is it better that I use
> the standard file that corresponding to tetrahedron? If so, could any one
> share the atom.inp file with me? Thank you so much!

There's not a lot of information to go on here ....

Would it help to look up the crytsal structure of (NH4)2MoO4 and try
fitting your data using that?


 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

 Molecular Environmental Science Group, Building 203, Room E-165
 MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007

 Argonne National Laboratory         phone and voice mail: (1) 630 252 5033
 Argonne IL 60439, USA                                fax: (1) 630 252 9793

 My homepage:    http://cars9.uchicago.edu/~ravel 
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/

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