[Pw_forum] How to get atomic positions for TiO2

[Lorenzo Paulatto]

On Thu, 19 Apr 2012 11:20:28 +0200, Olayinka, Samson A.  
<solayinka at biu.edu.ng> wrote:
> Please I need help on how to determine atomic positions for Rutile and  
> Anatase.


You could find them with google in 5 minutes, anyway, here they are:
Rutile: <http://cst-www.nrl.navy.mil/lattice/struk/c4.html>
Anatase: <http://cst-www.nrl.navy.mil/lattice/struk/c5.html>

and before you come back asking for Brookite here it is as well:
<http://cst-www.nrl.navy.mil/lattice/struk/c21.html>


bests
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Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
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