title: 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, GaCl(2).
authors.affiliation: Chemical Crystallography, Chemistry Research Laboratory, Mansfield Road, University of Oxford, Oxford OX1 3TA, UK.
authors.forename: Karim J
authors.initials: KJ
authors.lastname: Sutton
authors.forename: Sarah A
authors.initials: SA
authors.lastname: Barnett
authors.forename: Kirsten E
authors.initials: KE
authors.lastname: Christensen
authors.forename: Harriott
authors.initials: H
authors.lastname: Nowell
authors.forename: Amber L
authors.initials: AL
authors.lastname: Thompson
authors.forename: David R
authors.initials: DR
authors.lastname: Allan
authors.forename: Richard I
authors.initials: RI
authors.lastname: Cooper