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16 janvier 2017
Structure refinement using precession electron diffraction tomography and dynamical diffraction
The method for accurate structure refinements from three-dimensional precession electron diffraction data using dynamical diffraction theory has been applied to different samples. The data were measured on different instruments and with variable precession angles. A large series of tests revealed that the method provides structure models with an average error in atomic positions typically between 0.01 and 0.02 Å compared to the reference structures. The method allows a reliable determination of site occupancies and absolute structure.
See also Closing the gap between electron and X-ray crystallography, a scientific commentary on this article.
| Contact : | Philippe BOULLAY |
| Auteurs : | L.Palatinus, CA.Corrêa, G.Steciuk, D.Jacob, P.Roussel, P.Boullay, M.Klementová, M.Gemmi, J.Kopecek, MC.Domeneghetti, F.Cámara and V.Petrícek. |
| Equipes : | Hétérostructures et Oxydes à Propriétés Electroniques (HOPE) |
| Références : | Acta Cryst. B71 740-751 (2015) |
| DOI:org/10.1107/S2052520615017023 |