Re: [Ifeffit] Help with MoOx fitting

Thank you, that's what I am thinking of. Do you or anyone else know the crystal lattice parameters of this model? Many thansk.

From: Bruce Ravel Reply-To: bravel@anl.gov, XAFS Analysis using Ifeffit To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Help with MoOx fitting Date: Wed, 4 Apr 2007 16:14:52 -0500

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?

B

-- Bruce Ravel ---------------------------------------------- bravel@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

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