[Wien] Minor bug in cif2struct (American Mineralogist Database)

[L. D. Marks]

I did a little checking, and my 1989  Crystallography Tables only have
Ia-3d listed. On p16 there is a specific comment that Ia3d was changed to
Ia-3d, so I guess Wien2K is right and the Americal Mineralogist Crystal
Structure Database from which I downloaded the cif is wrong (although both
Atoms & Platon, to name two, seem to accept both names). My error,
apologies.

N.B. For reference, Nos 200-206 & 221-230 the "3" was changed to "-3" in
1989.

On Wed, 19 May 2004, Peter Blaha wrote:

> > unknown space group name: Ia3d
>
> Robert Laskowski has implemented the cif reader via the standard cif
> fortran libraries.
>
> If I look for "Pyrope" in my ICSD says   spacegroup is   I a -3 d and not
> I a 3 d !!!
>
> I'm not the expert to judge if a standard cif file may contain Ia3d
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>

-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:L-marks at northwestern.edu
http://www.numis.northwestern.edu
-----------------------------------------------