[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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