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Diffraction Anomalous Fine Structure: A New Technique for Probing Local Atomic Environment

Published online by Cambridge University Press:  15 February 2011

Ingrid J. Pickering,
Michael Sansone,
James Marsch and
Graham N. George
Ingrid J. Pickering
Affiliation:
Stanford Synchrotron Radiation Laboratory, SLAC, Stanford University, P.O. Box 4349, Bin 69, Stanford, CA 94309.
Michael Sansone
Affiliation:
Exxon Research and Engineering Company, Route 22 East, Annandale, NJ 08801.
James Marsch
Affiliation:
Exxon Research and Engineering Company, Route 22 East, Annandale, NJ 08801.
Graham N. George
Affiliation:
Stanford Synchrotron Radiation Laboratory, SLAC, Stanford University, P.O. Box 4349, Bin 69, Stanford, CA 94309.
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Abstract

Diffraction anomalous fine structure (DAFS) is the fine structure in the intensity of an X-ray diffraction peak in the vicinity of an absorption edge. DAFS is measured by monitoring the intensity of a diffraction peak as a function of the incident X-ray energy as it is scanned through an absorption edge. It combines the short range structural sensitivity of X-ray absorption spectroscopy with the long range periodicity of X-ray diffraction, and can provide structural information which is not available from these techniques alone, or in combination. We present a methodology which allows extraction of a specific X-ray absorbance spectrum from the DAFS spectrum, and illustrate it for KMnO4. We also demonstrate the ability of DAFS to separate the contributions to the X-ray absorption spectrum of the tetrahedral and octahedral cobalt sites in the spinel Co3O4.

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