The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@yk.rim.or.jp>]

Hello,

> Could somebody pls help me with YTTRIUM unit cell
> Spacegroup 194. I am not sure of atom co-ordinates...

This is not directly related to ABINIT, 
but just a comment may be posted.
You could consult with ~ABINIT/Infos/Miscellaneous/Crystals (*).
It mentions,
EMS online (http://cimesg1.epfl.ch/CIOL/) <- please correct the URL

You can enter the database by clicking "Run", then you will reach:
http://cimesg1.epfl.ch/CIOLS/crystal1.pl

You can find some data for Yttrium,
a= 0.3647 nm, c= 0.5731nm
Space Group No. 194 - P63/mmc (Hexagonal)
positions of inequivalent atom:
Y,2/3,1/3,1/4
(NB: the multiplicity of this position is double: 
 http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=194 
 the above site is also mentioned in file (*))

In passing, it would also be an good idea to try Google
(www.google.com) with keywords "Yttrium 194". 
You will find, for example,
http://www.webelements.com/webelements/elements/text/Y/xtal.html
(this site is mentioned in ~ABINIT/Infos/Miscellaneous/PeriodicTable)

Regards,
Masayoshi