Details
Original language | English |
---|---|
Pages (from-to) | 114-123 |
Number of pages | 10 |
Journal | Journal of solid state chemistry |
Volume | 249 |
Publication status | Published - 1 May 2017 |
Externally published | Yes |
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.
Keywords
- Aluminum borate, Crystal structure determination, Disorder, Electron diffraction, Superstructure
ASJC Scopus subject areas
- Materials Science(all)
- Electronic, Optical and Magnetic Materials
- Materials Science(all)
- Ceramics and Composites
- Physics and Astronomy(all)
- Condensed Matter Physics
- Chemistry(all)
- Physical and Theoretical Chemistry
- Chemistry(all)
- Inorganic Chemistry
- Materials Science(all)
- Materials Chemistry
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In: Journal of solid state chemistry, Vol. 249, 01.05.2017, p. 114-123.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Elucidating structural order and disorder phenomena in mullite-type Al4B2O9 by automated electron diffraction tomography
AU - Zhao, Haishuang
AU - Krysiak, Yaşar
AU - Hoffmann, Kristin
AU - Barton, Bastian
AU - Molina-Luna, Leopoldo
AU - Neder, Reinhard B.
AU - Kleebe, Hans Joachim
AU - Gesing, Thorsten M.
AU - Schneider, Hartmut
AU - Fischer, Reinhard X.
AU - Kolb, Ute
N1 - Funding information: Haishuang Zhao gratefully acknowledges the financial support from the Carl-Zeiss-Stiftung. Ya?ar 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).
PY - 2017/5/1
Y1 - 2017/5/1
N2 - 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.
AB - 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.
KW - Aluminum borate
KW - Crystal structure determination
KW - Disorder
KW - Electron diffraction
KW - Superstructure
UR - http://www.scopus.com/inward/record.url?scp=85014120419&partnerID=8YFLogxK
U2 - 10.1016/j.jssc.2017.02.023
DO - 10.1016/j.jssc.2017.02.023
M3 - Article
AN - SCOPUS:85014120419
VL - 249
SP - 114
EP - 123
JO - Journal of solid state chemistry
JF - Journal of solid state chemistry
SN - 0022-4596
ER -