DetOx: a program for determining anomalous scattering factors of mixed-oxidation-state species.
نویسندگان
چکیده
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, GaCl(2).
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عنوان ژورنال:
- Journal of synchrotron radiation
دوره 20 Pt 1 شماره
صفحات -
تاریخ انتشار 2013