xred and wyckoff

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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

xred and wyckoff

Post by mina » Tue Apr 30, 2013 2:04 pm

Dear all,
i am confused with xred and wyckoff position.i have studied xred from input variables but i can not understand it.
would you please help me to understand them?
Best regards.
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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: xred and wyckoff

Post by jzwanzig » Thu May 02, 2013 3:25 am

Please give a specific example of your question.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

Re: xred and wyckoff

Post by mina » Sat May 04, 2013 7:36 am

Dear jzwanzig,
thanks for your atteention. i found xreds are fractional coordinates. i wana to know in Bilbao Crystallographic Server site - wyckoff positions are xred or fractional coordinate too?.would you please guide me to know can i use this wyckoff positions in this site as xred?
Best regards.
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jzwanzig
Posts: 504
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Re: xred and wyckoff

Post by jzwanzig » Sat May 04, 2013 12:33 pm

The Wyckoff positions are given in fractional coordinates of the cell sides.
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
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