Hello,<div><br></div><div>I am trying to interpret some in-situ Quick-EXAFS and EXAFS data that I took under water-gas shift conditions (CO + H2O diluted in He) on some Pt/C catalysts. I&#39;m finding that the Pt-Pt and Pt-O fits using foil data, Pt-O standards, and quick 1st shell approximations for Pt-O aren&#39;t that great. After looking through the literature I came across some papers (i.e. <a href="http://pubs.acs.org/doi/abs/10.1021/jp983283e">http://pubs.acs.org/doi/abs/10.1021/jp983283e</a>) that use the Ir-O and Ir-C interactions from Ir4(CO)12 to approximate Pt-O and Pt-C interactions. I then found some crystallographic tables for Ir4(CO)12 (below), but it&#39;s unclear to me whether I can use this to create an atoms inp file (and whether the data is for the structure I&#39;m looking for or the referenced Ir(CO)3). So far I&#39;ve had no luck.</div>

<div><br></div><div>Is this a reasonable approach to this problem? Is the information I have enough to do this? Any suggestions as to where I may be able to find the crystallographic data I am looking for?</div><div><br>
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<div><br></div><div>Branko Zugic</div><div><br clear="all"><div><br></div>-- <br>PhD Candidate<br>Tufts University, Chemical and Biological Engineering<br>4 Colby Street, Room 226<br>Medford, MA 02155<br>Ph: (O) 617 627 2267 (H) 508 414 8555<br>

Email: <a href="mailto:Branko.Zugic@tufts.edu" target="_blank">Branko.Zugic@tufts.edu</a>, <a href="mailto:brankozugic@gmail.com" target="_blank">brankozugic@gmail.com</a><a href="mailto:brankozugic@gmail.com" target="_blank"></a><br>


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