[Wien] (no subject)

Laurence Marks L-marks at northwestern.edu
Thu Apr 23 14:42:09 CEST 2015


Negative atomic position just means that someone did not properly reduce
them. Just add 1.0, or use them "as is", they should be corrected by the
code to their conventional forms.

___________________________
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Apr 23, 2015 7:27 AM, "Shakeel Khandy" <shakeelkhandy11 at gmail.com> wrote:

>   I m a beginner and i want to study a compound of ABO3 type pervoskite
> with space group *pbnm*.I have got confused with the atomic positions of *pbnm
> *spacegroup. Although the experimental atomic positions are in my
> hand,but the problem lies in the negative atomic positions given by
> experimental data. Is there any other method to have the required atomic
> positions.
>
>
>  Thanking You
>
>  Shakeel
>
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