Having thunk about it a little, I think one problem with using the Miller
indices directly is that the x,y,z axes are not always orthogonal in
crystal structures. For example, the x and y axes in the hexagonal system

perpendicular to them both. This goes for other structures too - e.g.
rhombohedral and monoclinic are bound to suffer similar problems. You might
have more luck with this approach for cubic systems.

Of course you could always define axis vectors for the different systems and
use them instead of the regular coordinate vectors.

On the other hand, you seem to be producing pretty nice crystal shapes with
your current method, so who am I to meddle with your productivity! :-)

Let's see some more renders like that first one
Bill

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