Mohamed, The feature in Artemis you are making reference to is a tool for quickly generating theory that is valid only to analyze the first coordination shell. It automates the process of having Feff generate something that can reasonably be used to fit the first shell and only the first shell. If you actually know something about your crystal structure, you are much better off starting with the known crystal structure and running Feff on that. There is not a well organized user manual at this time for Artemis, but a small amount of searching on http://xafs.org/ will turn up plenty of examples and other useful things. B On Tuesday 15 September 2009 03:24:28 pm mohamed sobhy wrote:
Dear I am trying to simulate CeO2 crystal lattice but I found that in Artemis documentations the following
Currently the following coordination geomatries are available: * 4-coordinate crystal * 6-coordinate crystal * octahedral molecule * tetrahedral molecule * square-planar molecule CeO2 has coordination no of 8, so what is the meaning of that
Also is there any manual or working examples for Artemis
Thnaks
Mohamed
-- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/