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2 Aug 2024 14:16:44 EDT (-0400)
  pov periodic in picometers (Message 11 to 12 of 12)  
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From: alphaQuad
Subject: Re: pov periodic in picometers
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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pov-periodic001.png


 

From: alphaQuad
Subject: Re: pov periodic in picometers
Date: 28 Aug 2007 11:25:00
Message: <web.46d43d85a87c5094dc0a30e20@news.povray.org>
Final:

This was the intended BG, but I forgot the rgb switch in the last one and
didnt have time to fix it and didnt want anyone to waste more time on the
data in question. It has been resovled best as possible perhaps. All
sources had missing data but in this zip you'll find the most complete data
in one file.

This will be needed if anyone wants to make their own molecule
builder/exporter for raytraced graphic study aids.


ok so, files tokenized by comma or semicolon does not seem to be the way to
upload more than one file, so it will have to be one post per file until
someone can explain this.


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Attachments:
Download 'atomicdata.zip' (6 KB)

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