[Wien] Bi2Se3 atomic positions in wien2k structure file.

[Laurence Marks]

I suggest that you do a Google Search e.g.

https://www.google.com/search?q=wycoff+positions&oq=wycoff+positions&aqs=chrome..69i57.4946j0&sourceid=chrome&ie=UTF-8#q=wyckoff+positions&spell=1

On Thu, Feb 6, 2014 at 9:30 AM, Naseem Hassan <raheskoon at gmail.com> wrote:
> 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
>>
>>
>>
>> Best wishes
>>
>> Naseem (A beginner in wien2k code)
>>
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>>
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>



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi