Re: [Jmol-users] Problems with CIF Files

[<ha...@st...>]

I apologize if I've sent this already. My email it a bit hard to manage
when I'm out of town.

Bob

>
> I am very new to jmol but it is an excellent tool. I want to view
Fluorite
> and Bixbyite structures using it to create an applet. Basically, I want
to
> replicate what the American Mineralogists Crystal Structure database
does
> with these structures in a powerpoint presentation.
>
> However, when I download the CIF files from the applets on that website
I
> run into problems. With the fluorite structure, I only get two atoms
showing. Now, fluorite is very simple structure, is that all the
information
> the program actually needs and then I need to create a script to extend
it
> to get the full unit cell? When I try bixbyite, I only get three atoms
showing. Is it likewise the same problem?
>

right, same problem. You are seeing the data as given in the files. No
symmetry applied. To see one full unit cell, with symmetry, use:

load filename.cif {1 1 1}

If you play a little more, you can get some very nice effects. This
script, for example, displays polyhedra at


> I have uploaded the *.cif files I am trying to use (they are from the AMCSD
> Database - which I will of course reference) and any help in wrapping my
head around this program and how to display full unit cells would be
greatly
> appreciated.
>
> Sincerely,
>    Justin Hood
>
> http://www.nabble.com/file/3782/fluorite.cif fluorite.cif
> http://www.nabble.com/file/3783/bixbyite.cif bixbyite.cif
> --
> View this message in context:
> http://www.nabble.com/Problems-with-CIF-Files-tf2490469.html#a6943217
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