for ionic not found, we could default to the closest known ion charge -- at least X 3+ will be small, if not small enough, if X 2+ is present.
Angel Herraez wrote: >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 > > ------------------------------------------------------------------------- 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
