[Ifeffit] Request a .cif file for alpha & beta Nickel hydroxide

[Scott Wicker (Student)]

I would like to request a .cif file for the alpha & beta Nickel hydroxide. If someone also have .cif files for Cobalt hydroxide this will be greatly appreciated. Is there a single crystal data base for .cif files?

thanks, 

Scott A. Wicker Sr.
Ph.d Graduate Student
Environmental Toxicology
Southern University A & M
Baton Rouge, LA 70813
School: scott_wicker_00 at cxs.subr.edu
Home: swicker at cox.net



-----Original Message-----
From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of Frenkel, Anatoly
Sent: Fri 11/27/2009 1:12 PM
To: jswashin at ncsu.edu; XAFS Analysis using Ifeffit
Subject: RE: [Ifeffit] Bond length determination EXAFS vs XRD
 
XRD measures interplanar spacing, and XAFS - interatomic distances, and they are not the same if disorder is present. Look for articles by Boyce and Mikkelsen, Jr., in Phys Rev B in 1980's who were the first discussing these concepts in GaAs-InAs semiconductors and also KBr-RbBr ionic salts. 
They showed that the average structure ascertained by diffraction differs from the local structure measured by EXAFS.
Modern day high energy XRD/PDF measures interatomic distances more accurately than Bragg peak analysis can do but how accurately it agrees with EXAFS is still subject of debates.
Anatoly
 

  _____  

From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of Joseph Washington
Sent: Fri 11/27/2009 2:08 PM
To: XAFS Analysis using Ifeffit
Subject: [Ifeffit] Bond length determination EXAFS vs XRD



Happy Thanksgiving All!

Can someone, send me some references which explains some of the reasons
why the bond lengths fitted in EXAFS would be different from that fitted
in XRD (assuming that we implemented the crystal model predicted by XRD
correctly in Artemis)?

I would really appreciate this!

Sincerely
--
Joseph Washington
Research Assistant
Department of Physics
North Carolina State University
431 Riddick Hall
Raleigh, NC 27695-8202
email: jswashin at ncsu.edu
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