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.
1) Can we eventually use our own table of radii ? 2) If jmol doesn't find the right valence state in the table, perhaps it should use the radius for a neighbouring valence state rather than the van der Waals radius ? 3) I will try to suggest a more complete table of empirical ionic radii with the help of I.David Brown. Alan. _____________________________________________________________ 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/ _____________________________________________________________ ------------------------------------------------------------------------- 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
