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This image depicts a 2D slice of the electron density contained within a 3D
view of the crystal lattice. So the atoms if particular interest are the
ones that are present in the plane of the slice. The others are there just
to provide a crystal lattice frame of reference.
The density color map is red, orange, yellow, green, blue, indigo, violet
where the lowest electron density regions are red, the highest are violet.
White is the region of no density. Electron density is concentrated around
atoms and between atoms that are chemically bonded to each other. Thus the
yellow/green areas are bonded electron density, the blue are regions of
atomic density.
The brown atoms are silicon. The reason they don't have blue/indigo/violet
color near them (i.e. the core density) is because the particular Quantum
Mechanical method I used to calculate the electron density approximates the
core density and thus it does not explicitly show up on these electron
density images. The gray atoms are hydrogen atoms which do not use that
approximation and thus their core density appears here.
Jim
"Bob H." <omn### [at] msn com> wrote in message
news:3b361bca@news.povray.org...
> Don't know if I interprete the image right at all but it looks like
there's
> a large imbalance of electrons between the atoms and yet perhaps it almost
> equals out overall (if the entire thing seen).
> In other words, the brown atoms show little to no electrons and the light
> gray ones have a high density of them. A possibly mostly positive charge
> then with electrons ready to jump around?
> It's what I see anyway. Just to make an untrained observation.
>
> Bob H.
>
>
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