[Wien] Space group 108 I4cm

[georg at chem.au.dk]

This is the way it should be. Theres a B in the beginning of the struct file
telling WIEN about the I centering

 Georg

Quoting Monique Body <monique.body at univ-lemans.fr>:

> 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
> *********************************************************************** 
> 
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-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885
http://www.chem.au.dk/~webuorg/gm.html