[Wien] Bi2Se3 atomic positions in wien2k structure file.

[Naseem Hassan]

Dear Sir,

Thank you so much for your input. Sir, if possible kindly teach me how to
extract position from the fallowing wycoff position. Please help because it
will be a general skill that will add to my knowledge.

http://cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=166&grha=hexagonal


Thank You Sir,
Naseem (A beginner)



On Thu, Feb 6, 2014 at 7:55 PM, McDermott Eamon John Gordon <
eamon.mcdermott at tuwien.ac.at> wrote:

>  Crystallography.net appears to have the structure you want:
> http://www.crystallography.net/9011965.html
>
>  Simply download the .CIF file and use 'cif2struct'.
>
>  Regards,
>
>  --
> Eamon McDermott, M.Sc.
> Institute of Materials Chemistry, TU Wien
> eamon.mcdermott at tuwien.ac.at
> Office: +43 (1) 58801-165304
> Scheduling: http://doodle.com/eamon.mcdermott
>
>  On Feb 6, 2014, at 3:35 PM, Naseem Hassan <raheskoon at gmail.com> wrote:
>
>   Dear Users,
>
>  This is strange but what else I can do except reporting it. I am unable
> to download the attachment from the fallowing email which is in the archive
> (probably never attached).
>
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08497.html
>
>  Kindly suggest me how can I make Bi2Se3 structure file ? The space group
> is
>
> space group R3m (166)and structure is hexagonal.
> *But I do not know how many atoms should *
>
>
> *I generate for structure file and what are the positions for respective *
>
>
> *atoms ? I would appreciate if some one help how to find position
> *
>
>
>
> *from the official link below, in this way I will learn alot. http://cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=166&grha=hexagonal <http://cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=166&grha=hexagonal> *
>
> Best wishes
>
> Naseem (A beginner in wien2k code)
>
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