Dear Prasun,
Le 16 nov. 2012 à 05:20, prasun kumar a écrit :
> Hi all
>
> I am using OpenBabel for generating symmetry mates for BERZON.cif (file
> attached). It is having C 2m symmetry. I should get 8 equivalent points, but
> getting only 5. Can some body please help me.
All your atoms are in the y=0 plane, i.e. on a special position in C2/m
(see http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=12&gua=b),
so each atom would only give 4 symmetrics in the unit cell. You probably get 5
because you'd also get the translated atoms at y=1 (I have not tried).
Vincent
--
Vincent Favre-Nicolin http://inac.cea.fr
CEA/Grenoble Institut Nanosciences & Cryogénie
Laboratoire SP2M/Nano-structures et Rayonnement Synchrotron
17, rue des Martyrs
38054 Grenoble Cedex 9 - France
Université Joseph Fourier http://www.ujf-grenoble.fr
tél: (+33) 4 38 78 95 40 fax: (+33) 4 38 78 51 38
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