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["Amancherla, Sundar (CORP, GEITC)" <Sundar.Amancherla@geind.ge.com>]

Thanks everyone for the help...

--
  Aman


-----Original Message-----
From: Masayoshi Mikami [mailto:mmikami@yk.rim.or.jp]
Sent: Wednesday, October 15, 2003 6:18 PM
To: forum@abinit.org; Amancherla, Sundar (CORP, GEITC)
Subject: Re: [abinit-forum] yttrium


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