[Ifeffit] CN and bond distances in Artemis

[Anatoly Frenkel]

5.54 for a 13 atom cuboctahedron (same in truncated octahedron and an hcp
cluster) and 6.46 for a 13 atom icosahedron.

A.


-----Original Message-----
From: ifeffit-bounces at millenia.cars.aps.anl.gov
[mailto:ifeffit-bounces at millenia.cars.aps.anl.gov]On Behalf Of Juan
Antonio Macia Agullo
Sent: Tuesday, December 12, 2006 1:15 PM
To: XAFS Analysis using Ifeffit
Subject: Re: [Ifeffit] CN and bond distances in Artemis



Hi Anatoly,

Sorry very much Anatoly, you are right, I only told you low values for S02
but I
did not give any value to you. Which is the minimum reasonable coordiantion
number
in a fcc structure?
Yes, I assumed a fixed value of 12 for N and I left S02 as variable. I
realize
that my fault was to want to obtain both S02 and N in the same fit, and it
seems
that I have to do two fits, changing the variable (S02 or N), to obtain both
variables.

Thank you very much

Best regards,
JA