[Ifeffit] CN and bond distances in Artemis

Scott Calvin SCalvin at slc.edu
Mon Dec 4 13:42:51 CST 2006


Hi Juan,

You're saying you have that low a value of S02 
for a bulk platinum standard? Anatoly's 
right...you'd better figure out why before you 
continue. But one piece of advice I have: for a 
simple crystalline standard like platinum, by all 
means fit more than one coordination shell (with 
coordination numbers constrained)! That will be 
very helpful in diagnosing what is going on, and, 
for certain cases, might even solve the problem.

Which brings up the first important question to 
ask...what is the uncertainty on the S02 of 0.53?

--Scott Calvin
Sarah Lawrence College

At 02:03 PM 12/4/2006, you wrote:

>Hi all,
>
>I read your papers Anatoly. You fixed the value of S02 found in the Pt
>metal, and the expression in Artemis would be like this: N:1 x S02:
>amp·N, right??
>I have a low value of S02 in the case of platinum (0.53), how can I
>solve the problem?
>Bond distances = delR + Reff (with phase correction)?





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