I have added most of those values. I have to make O- smaller, though, or it
doesn't work correctly in organic compounds. Perhaps some testing this
M(OH)x would be in order.

Bob


On Wed, Sep 17, 2008 at 12:55 PM, Phillip Barak <[EMAIL PROTECTED]> wrote:

> Since Angel has added in coordination numbers, I'll add in Shannon's values
> (1976) for comparison, which seem to be the source for some of the 77th edn
> values:
>
> ----- Original Message -----
> From: Angel Herraez <[EMAIL PROTECTED]>
>
> > In case it is of help, I found in our library a 56th edition (1975-
> > 76) and a 77th edition (1996-97) of the CRC Handbook of Chemistry and
> >
> > Physics. Both have tables entitled
> > "CRYSTAL IONIC RADII OF THE ELEMENTS" (pages F209 to F210 and 12-14
> > to 12-15 respectively)
> >
> > with these values:
> >
> > > >     (8 << 4) + (-2 + 4),  1320, // "O-2"
> > 1.32  (56th)
> > 1.36 for CN 3 (coordination number, 77th)
> > 1.40 for CN 6
>
> Shannon (1976):
>
> O-2
> CN Radius
> 2 1.35
> 3 1.36
> 4 1.38
> 6 1.40
> 8 1.42
>
> >
> > > >     (8 << 4) + (-1 + 4),  1760, // "O-1" // WAY too large?
> > 1.76  (56th)
> > 1.37 for "OH(-1)", CN 6  (77th)
>
> OH-1
> 2 1.32
> 3 1.36
> 4 1.35
> 6 1.37
>
> (thanks for giving us a clue what O-1 might be)
>
> > > >     (14 << 4) + (-4 + 4), 2710, // "Si-4"
> > 2.71  (56th)
> > no entry (77th)
> Shannon (1976) no entry
>
>
> > > >     (14 << 4) + (-1 + 4), 3840, // "Si-1" // same problem here?
> > 3.84  (56th)
> > no entry (77th)
> Shannon no entry
>
> > > >     (34 << 4) + (-2 + 4), 1910, // "Se-2"
> > 1.91  (56th)
> > 1.98  CN 6 (77th)
> SE-2  6 1.98 Shannon (1976)
>
> >
> > > >     (34 << 4) + (-1 + 4), 2320, // "Se-1" // same problem here?
> > 2.32  (56th)
> > no entry  (77th)
> Shannon no entry
>
> Although the extraneous values do no harm, and I doubt that they've been
> invoked for bonding calcns in the history of Jmol, I can see no reason that
> they shouldn't be purged.
> --Phil
>
> >
> >
> >
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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