[Ifeffit] How to use ATOM on this file?

[Wei Li]

Thanks, kicaj!
This is a Zn-Al  layered double hydroxide (LDH) structure. In this
structure, Zn and Al occupy the same chemical site.
I know how to creat a Al doped Zn compound. Here I just want to learn how
to work this kind of cig file with ATOM.

Wei

On Saturday, May 5, 2012, "Dr. Dariusz A. Zając" <kicaj at ifj.edu.pl>
wrote:
> Hi Wei Li,
> I guess that ATOM makes some errors about atoms laying too close? Am I
right? (sorry I can not check cif file now) Could you write something more
about the problem and sample?
> If I understood you want to create a Al doped Zn compound - in the
archive of this mailing list are some examples how to do it.
> regards
> kicaj
>
> W dniu 12-05-05 04:50, Wei Li pisze:
>
> Hello, Bruce,
>
> I have a *.cif, in which structure contains Zn and Al in the same site
but diferent ratio. I cannot use ATOM to build a cluster for Feff. I am
wonder if you could figure this out. Thanks in advance!
>
> best wishes
> yours
> Wei Li
>
> --
> Wei Li
>
> Postdoc researcher
> Environmental Soil Chemistry Group
> Delaware Environmental Institute
> University of Delaware, Newark,19713
> Tel:631-949-0663
> http://ag.udel.edu/soilchem/li.html
>
>
>
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-- 
Wei Li

Postdoc researcher
Environmental Soil Chemistry Group
Delaware Environmental Institute
University of Delaware, Newark,19713
Tel:631-949-0663
http://ag.udel.edu/soilchem/li.html <http://ag.udel.edu/soilchem/>
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