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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Palatinus, Lukas
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (9/9 displayed)
- 2024Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction datacitations
- 2024Dicarbonyl[10,10-dimethyl-5,15-bis(pentafluorophenyl)biladiene]ruthenium(II): discovery of the first ruthenium tetrapyrrole <i>cis</i>-dicarbonyl complex by X-ray and electron diffraction
- 2023Quantitative three-dimensional local order analysis of nanomaterials through electron diffractioncitations
- 2023Accurate structure models and absolute configuration determination using dynamical effects in continuous-rotation 3D electron diffraction datacitations
- 2023Accurate structure models and absolute configuration determination using dynamical effects in continuous-rotation 3D electron diffraction data
- 2022Polar Crystal Habit and 3D Electron Diffraction Reveal the Malaria Pigment Hemozoin as a Selective Mixture of Centrosymmetric and Chiral Stereoisomerscitations
- 2021ELECTRON DIFFRACTION - A NEW TOOL FOR CRYSTAL STRUCTURE SOLUTIONS
- 20193D Electron Diffraction: The Nanocrystallography Revolutioncitations
- 2017Unusual ferroelectric and magnetic phases in multiferroic 2H-BaMnO3 ceramicscitations
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article
Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data
Abstract
<jats:p>Our study compares short-range order parameters refined from the diffuse scattering in single-crystal X-ray and single-crystal electron diffraction data. Nb<jats:sub>0.84</jats:sub>CoSb was chosen as a reference material. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms were refined from the diffuse scattering using a Monte Carlo refinement in <jats:italic>DISCUS</jats:italic>. The difference between the Sb and Co displacements refined from the diffuse scattering and the Sb and Co displacements refined from the Bragg reflections in single-crystal X-ray diffraction data is 0.012 (7) Å for the refinement on diffuse scattering in single-crystal X-ray diffraction data and 0.03 (2) Å for the refinement on the diffuse scattering in single-crystal electron diffraction data. As electron diffraction requires much smaller crystals than X-ray diffraction, this opens up the possibility of refining short-range order parameters in many technologically relevant materials for which no crystals large enough for single-crystal X-ray diffraction are available.</jats:p>