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 was a recent change in something related to
bonding radii) at
http://chemapps.stolaf.edu/jmol/docs/misc/radii.xls
Thanks! That helps.. It looks like there are some unusual
discrepancies. For example:
Br(-1) 1.96 A on the xls list and 1.21 A in Jmol when read from
KBr,cif file
Cl(-1) 1.81 A on the xls list and 0.99 A in Jmol when read from
CsCl.cif file (it shows correctly at 1.81 A from NaCl.cif file)
Any idea of what is happening?
PM
PS. (Can I enclose the cif files with the email?).
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