[Ifeffit] Space group notation
Bruce Ravel
bravel at bnl.gov
Tue Sep 21 08:53:10 CDT 2010
A bit of googling came up with lots of useful stuff, including
* Wikipedia, unsurprisingly: http://en.wikipedia.org/wiki/Space_group
* Table six on http://cci.lbl.gov/sginfo/hall_symbols.html
This file:
http://cars9.uchicago.edu/svn/horae/trunk/lib/Xray/space_groups.db.PL
is where every space group symbol recognized by my software is written down.
If your library has a copy of the first volume of the International Tables of
Crystallography, that's the ultimate authority.
B
On Tuesday, September 21, 2010 09:23:26 am Abhijeet Gaur wrote:
> Hi all,
> I am trying to generate the theoretical model of a compound in Artemis. The
> compound crystallizes in the triclinic space group I1ˉ. As superscript and
> subscript cannot be given, I tried the notations like I-1, I1-, I1_, but it
> is showing the message "Invalid space group". I read the tutorial on
> "Atoms", still not able to resolve the problem. Please help.
>
> With regards
> Abhijeet Gaur
--
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
Building 535A
Upton NY, 11973
My homepage: http://xafs.org/BruceRavel
EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
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