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DetOx: a program for determining anomalous scattering factors of mixed-oxidation-state species

Abstract:
Overlapping absorption edges will occur when an element is present in multiple oxidation states within a material. DetOx is a program for partitioning overlapping X-ray absorption spectra into contributions from individual atomic species and computing the dependence of the anomalous scattering factors on X-ray energy. It is demonstrated how these results can be used in combination with X-ray diffraction data to determine the oxidation state of ions at specific sites in a mixed-valance material, GaCl₂.
Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1107/S0909049512044007

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Institution:
University of Oxford
Research group:
Cooper
Oxford college:
Worcester College
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
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Institution:
Diamond Light Source
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Institution:
University of Oxford
Oxford college:
Jesus College
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
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Institution:
Diamond Light Source
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Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
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Funding agency for:
Karim J. Sutton
Publisher:
International Union of Crystallography Publisher's website
Journal:
Journal of Synchrotron Radiation Journal website
Volume:
20
Issue:
1
Pages:
200-204
Publication date:
2013-01-05
DOI:
ISSN:
0909-0495
URN:
uuid:226fac55-9c10-41e5-8f59-9bf151897d55
Local pid:
ora:6742

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