_atom_type_oxidation_number As3- -3. Na1+ 1.
For example, as Angel's table shows: http://biomodel.uah.es/jmol/radii/jmol_radii.en.html
there should be a big difference between As-3
http://icsd.ill.fr/icsd/index.php?action="">
as in Na3As, and As+3 as in CsAs4F13
http://icsd.ill.fr/icsd/index.php?action=""> I have taken those examples because there can be no doubt about the valence state of As, it is clearly marked in the CIF files, and these files are freely available from the demo WWW version of ICSD.
For CIF files, Jmol draws As-3 with much the same radius as As+3. I suspect it is using the uncharged atom radius, so As-3 and As+3 are drawn the same size, intermediate between Na+1 and Cs+1
Alan.
BTW, David Brown tells me that the best values for ionic radii are still those of Shannon and Prewitt 1969, Acta Cryst. B25, 925-946 (for oxides) and Shannon 1976 Acta Cryst. A32, 751-767 (for halides), so I guess the values in Jmol are fine (I haven't checked).
_____________________________________________________________
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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