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Elucidating structural order and disorder phenomena in mullite-type Al4B2O9 by automated electron diffraction tomography

Zhao, H. and Krysiak, Y. and Hoffmann, K. and Barton, B. and Molina-Luna, Leopoldo and Neder, R. B. and Kleebe, Hans-Joachim and Gesing, T.M. and Schneider, H. and Fischer, R. X. and Kolb, U. (2017):
Elucidating structural order and disorder phenomena in mullite-type Al4B2O9 by automated electron diffraction tomography.
In: Journal of Solid State Chemistry, Elsevier, pp. 114-123, 249, ISSN 0022-4596,
DOI: 10.1016/j.jssc.2017.02.023,
[Article]

Abstract

The crystal structure and disorder phenomena of Al4B2O9, an aluminum borate from the mullite-type family, were studied using automated diffraction tomography (ADT), a recently established method for collection and analysis of electron diffraction data. Al4B2O9, prepared by sol-gel approach, crystallizes in the monoclinic space group C2/m. The ab initio structure determination based on three-dimensional electron diffraction data from single ordered crystals reveals that edge-connected AlO6 octahedra expanding along the b axis constitute the backbone. The ordered structure (A) was confirmed by TEM and HAADF-STEM images. Furthermore, disordered crystals with diffuse scattering along the b axis are observed. Analysis of the modulation pattern implies a mean superstructure (AAB) with a threefold b axis, where B corresponds to an A layer shifted by ½a and ½c. Diffraction patterns simulated for the AAB sequence including additional stacking disorder are in good agreement with experimental electron diffraction patterns.

Item Type: Article
Erschienen: 2017
Creators: Zhao, H. and Krysiak, Y. and Hoffmann, K. and Barton, B. and Molina-Luna, Leopoldo and Neder, R. B. and Kleebe, Hans-Joachim and Gesing, T.M. and Schneider, H. and Fischer, R. X. and Kolb, U.
Title: Elucidating structural order and disorder phenomena in mullite-type Al4B2O9 by automated electron diffraction tomography
Language: English
Abstract:

The crystal structure and disorder phenomena of Al4B2O9, an aluminum borate from the mullite-type family, were studied using automated diffraction tomography (ADT), a recently established method for collection and analysis of electron diffraction data. Al4B2O9, prepared by sol-gel approach, crystallizes in the monoclinic space group C2/m. The ab initio structure determination based on three-dimensional electron diffraction data from single ordered crystals reveals that edge-connected AlO6 octahedra expanding along the b axis constitute the backbone. The ordered structure (A) was confirmed by TEM and HAADF-STEM images. Furthermore, disordered crystals with diffuse scattering along the b axis are observed. Analysis of the modulation pattern implies a mean superstructure (AAB) with a threefold b axis, where B corresponds to an A layer shifted by ½a and ½c. Diffraction patterns simulated for the AAB sequence including additional stacking disorder are in good agreement with experimental electron diffraction patterns.

Journal or Publication Title: Journal of Solid State Chemistry
Volume: 249
Publisher: Elsevier
Uncontrolled Keywords: Electron diffraction, Aluminum borate, Crystal structure determination, Superstructure, Disorder
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Earth Science
11 Department of Materials and Earth Sciences > Earth Science > Geo-Material-Science
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Advanced Electron Microscopy (aem)
Date Deposited: 06 Dec 2018 10:19
DOI: 10.1016/j.jssc.2017.02.023
Funders: Haishuang Zhao gratefully acknowledges the financial support from the Carl-Zeiss-Stiftung., Yaşar Krysiak is grateful for the financial support by the Stipendienstiftung Rheinland-Pfalz., Thorsten M. Gesing and Reinhard X. Fischer gratefully thank the Deutsche Forschungsgemeinschaft for the financial support (GE1981/5-1 and FI442/19-1)., The JEM-ARM200F was partially funded by the Deutsche Forschungsgemeinschaft (DFG/INST163/2951).
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