Alan, > I found Bob's table radii.xls and notice that if you ask for "spacefill > ionic" > jmol tries to use the ionic radius for the valence state listed in > the CIF file. If it doesn't find that valence state in the table, > it apparently uses the van der Waals radius. Since radii.xls only > contains one valence state for each atom, jmol will sometimes fail > to find the appropriate ionic radius and use instead a mixture of > ionic and very different van der Waals radii.
My recollection (may be wrong) was that atomic radius is used, not vdW, if the ionic state is not found. I haven't checked it, though. Take a look at http://biomodel.uah.es/jmol/radii/jmol_radii.en.html which may be of help to you. I also think there is provision for more than one ionic state per element (as shown in the periodic table above) ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys -- and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
