Development of a new methodology for site distribution determination by powder diffraction with anomalous scattering using focused beam and flat shape sample geometry

Abstract

Abstract A new methodology of synchrotron powder diffraction with anomalous scattering for site occupancy determination has been examined. We have been developing a new Synchrotron powder diffraction geometry with focused X-ray beam, flat shape sample and area detectors. As an application of the geometry, a new methodology for site occupancy determination has been tried. The diffraction intensity ratio change against X-ray energy near an absorption edge was observed and was compared with the calculation obtained from various site distribution crystal structure models. The methodology has been successfully applied for site distribution determination of In atom in β-(Ga,In)2O3 crystal. The new methodology can obtain diffraction intensity without approximation in absorption correction and can eliminate preferred orientation effect. By the combination of these features the new methodology can be a new application of synchrotron powder diffraction with anomalous scattering.