Wiedemann, D.; Indris, S.; Meven, M.; Pedersen, B.; Boysen, H. et al.: Single-crystal neutron diffraction on γ-LiAlO2: Structure determination and estimation of lithium diffusion pathway. In: Zeitschrift für Kristallographie - Crystalline Materials 231 (2016), Nr. 3, S. 189-193. DOI:
https://doi.org/10.1515/zkri-2015-1896
Zusammenfassung: |
γ-Lithium aluminum oxide is a paradigmatic example of an ultraslow lithium ion conductor. This characteristic plays a crucial role in its proposed and actual applications. Herein, we report on the outcome of single-crystal neutron diffraction studies at ambient and high temperature. Careful evaluation confirms the commonly assumed room-temperature structure as derived by powder neutron diffraction in 1965. At 1043 K, a split of the lithium position hints at the onset of intrinsic diffusion. Analysis of the negative scattering-length density using the maximum-entropy method (MEM) indicates a preference for a strongly curved diffusion pathway traversing octahedral voids between adjacent lithium sites. These results help to understand ultraslow lithium diffusion in well-ordered ionic solids on the microscopic scale and, ultimately, to establish structure-property relationships. © 2016 by De Gruyter.
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Lizenzbestimmungen: |
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Publikationstyp: |
Article |
Publikationsstatus: |
publishedVersion |
Erstveröffentlichung: |
2016 |
Schlagwörter (englisch): |
anisotropic displacement parameters, diffusion pathways, high-temperature neutron diffraction, lithium aluminum oxide, maximum-entropy method
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Fachliche Zuordnung (DDC): |
540 | Chemie, 530 | Physik
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