[Ifeffit] Coordination number

[Stefano Ciurli]

Hi Juan,

I am not sure why you say that the question is 
polemic. I will give you the definition that a 
coordination chemist would give:

the coordination number is the number of closest neighbours.

But maybe I do not understand the question

Regards
Stefano

>I have a simple question but I am afraid it is polemic. Why people
>always calculate coordination numbers and bond distances and how?
>I have an e-mail where Bruce described perfectly how to calculate the
>coordiantion number for the first shell. But,...if I have bimetallic
>catalysts or/and a mixture of structures with several close paths
>(similar Reff), then coordination number is an average number? I am not
>very sure how to calculate them in Artemis with SO2 and standards.
>
>Thank you very much
>
>Best regards,
>JA
>
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-- 
____________________________________________

Stefano Ciurli
Professor of Chemistry
Laboratory of Bioinorganic Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
Viale Giuseppe Fanin, 40
I-40127 Bologna
Italy
Phone:	+39-051-209-6204
Fax:	+39-051-209-6203

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