POV-Ray : Newsgroups : povray.binaries.images : pov periodic in picometers : Re: pov periodic in picometers Server Time
2 Aug 2024 16:27:12 EDT (-0400)
  Re: pov periodic in picometers  
From: alphaQuad
Date: 27 Aug 2007 02:05:00
Message: <web.46d268d8a87c5094d3575d3f0@news.povray.org>
The descrepancy was Waals data V. emperical
very slight adjustment was made to merge original data with missing
empirical
http://www.webelements.com/webelements/elements/text/La/radii.html

interactive [go] Atomic radius (empirical) [/pm]: 195
impossible to get a link as a link always returns different charts.
Its data is now in text.

La changed 138 to 195

With some attention to detail
http://www.colorado.edu/physics/2000/applets/a3.html
a d-state electron was added to:

57 La
64 Gd
71 Lu
89 Ac
96 Cm
103 Lr

making it seem that the block data should be:

s                                                  s
s  s                                p  p  p  p  p  p
s  s                                p  p  p  p  p  p
s  s  d  d  d  d  d  d  d  d  d  d  p  p  p  p  p  p
s  s  d  d  d  d  d  d  d  d  d  d  p  p  p  p  p  p
s  s  d  d  d  d  d  d  d  d  d  d  p  p  p  p  p  p
s  s  d  d  d  d  d  d  d  d  d  d  p  p  p  p  p  p
      f  f  f  f  f  f  d  f  f  f  f  f  f  d
      f  f  f  f  f  f  d  f  f  f  f  f  f  d

not only atom radius
but also with covalent radii, bond length prediction is available to the
molecule exporter.


  var %e = $abs($calc($ele-negativity($1) - $ele-negativity($2)))
  return $calc($covalentradius($1) + $covalentradius($2) - (9 * %e))


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