[Wien] Space group 108 I4cm

[Travis Sefzik]

I'm not sure that I understand the question, but could it be that you  
need to use another setting?  Check out the following link:

http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=108


Hope this helps.

-t



On Feb 16, 2006, at 10:52 AM, Monique Body wrote:

> dear Wien users,
>
> We've got a problem with the space group 108 I4cm. When we generate  
> the struct file (from a cif file or manually), half of the  
> equivalent atomic positions are missing.
> eg: for an atom in a 16d position, only 8 equivalent positions are  
> generated. The missing positions correspond to those generated by  
> the I translation.
> We tried from a P1 space group, editing all the atomic positions,  
> but the I lattice is still not recognized.
> Does someone have any idea where our problem come from?
>
> Best regards,
> Monique
>
> ********************************************************************** 
> *
> Monique Body
> Laboratoire de Physique de l'Etat Condensé 33.2.43.83.32.54
> Université du Maine - Avenue Olivier Messiaen
> 72085 Le Mans - FRANCE
> monique.body at univ-lemans.fr
> ********************************************************************** 
> *
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>

---
Travis Sefzik
Grandinetti Group
Chemistry Department
The Ohio State University
120 W. 18th Ave.
Columbus, OH 43210

phone: (614) 292-8064
fax: (614) 292-0559
email: tsefzik at chemistry.ohio-state.edu
home: www.chemistry.ohio-state.edu/~tsefzik