Bob Hanson said:
> Alan, what do I do about this: Cu +(7/3) ? Can I round down?

Yep. Just round 1.5<x<2.5 to 2. etc. These are actually the most
interesting valences, but it is hardly worth interpolating the ionic
radii. It will be great to have the ions pretty much the right size.
Alan.

> _atom_type_symbol
> _atom_type_oxidation_number
> Ba2+     2.
> Y3+     3.
> Cu2+33     2.333
> O2-     -2.
_____________________________________________________________
Dr Alan Hewat, ILL Grenoble, FRANCE <[EMAIL PROTECTED]>fax+33.476.20.76.48
+33.476.20.72.13 (.26 Mme Guillermet) http://www.ill.fr/dif/people/hewat/
_____________________________________________________________


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