[Wien] Spacegroup I2/m

[wmppemam at lg.ehu.es]

I2/m is a non-standard setting of the space group C2/m, N. 12 of the 
International Tables. You have first to check which direction is your 
monoclinic unique axis in the I2/m setting you are using.

Then, you can use for instance the program SETSTRU from the Bilbao 
Crystallographic Server (www.cryst.ehu.es) to transform your structure to 
the standard setting C2/m (with b unique axis).

*************************************************
J. Manuel Perez-Mato
Fac. Ciencia y Tecnologia,
Universidad del Pais Vasco, UPV
48080 BILBAO,
Spain

tel. +34 946012473
fax. +34 946013500
*************************************************

On Thu, 27 Aug 2009,  wrote:

> Dear Wien users,
>
>
> I am trying to calculate things of Fe3Se4.
> The spacegroup of Fe3Se4 is I2/m that I cannot find in Wien2K.
>
> I have drawn a structure of Fe3Se4 myself, but I am not sure whether of
> not I did correctly.
> Does anybody know about I2/m and/or Fe3Se4?
>
>
>
> All my best,
>
> Jihoon Park
>