Re: [Jmol-users] ionic radii

2014-04-18 Thread Robert Hanson
And here are my notes, in http://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol/src/org/jmol/util/Elements.java The note about O- and N+ refers to the fact that we use the covalent bonding radius for these, not the crystal ionic radius, because those number are just so not useful for organic com

Re: [Jmol-users] ionic radii

2014-04-18 Thread Phillip Barak
These are ionic radii in the sense that Linus Pauling used them for multiple oxidation states, extended a number of times in the literature, and probably reaching their pinnacle in the work of Shannon et al, who calculated ionic radii as a functional of coordination number. See http://en.wikipe

Re: [Jmol-users] ionic radii

2014-04-18 Thread Robert Hanson
"ionic" in Jmol is a bit of a misnomer. I have never liked it. It refers to a mix of covalent bonding radii and ionic radii, and really there is no "turning it off". The spreadsheet detailing this is online. See http://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol/_documents/ perhaps ionicradia

[Jmol-users] ionic radii

2014-04-18 Thread Pshemak Maslak
On 4/18/2014 5:47 AM, Angel Herráez wrote: Hi Pshemak try this: spacefill ionic; print {*}.radius.all; If you want the full list of original values used, you probably need to check the source code. The Scripting Doc page has a link to an Excel table (it may be not up to date, I know there wa

Re: [Jmol-users] ionic radii

2014-04-18 Thread Angel Herráez
Hi Pshemak try this: spacefill ionic; print {*}.radius.all; If you want the full list of original values used, you probably need to check the source code. The Scripting Doc page has a link to an Excel table (it may be not up to date, I know there was a recent change in something related to