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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