On the microstructure and symmetry of apparently hexagonal BaAl{sub 2}O{sub 4}
- Research School of Chemistry, Australian National University, Science Road, Canberra ACT 0200 (Australia)
- Department of Condensed Matter Physics, University of the Basque Country, Bilbao (Spain)
- Research School of Earth Sciences, Australian National University, Canberra ACT 0200 (Australia)
- School of Chemistry, University of Sydney, Sydney NSW 2006 (Australia)
The P6{sub 3} (a=2a{sub p}, b=2b{sub p}, c=c{sub p}) crystal structure reported for BaAl{sub 2}O{sub 4} at room temperature has been carefully re-investigated by a combined transmission electron microscopy and neutron powder diffraction study. It is shown that the poor fit of this P6{sub 3} (a=2a{sub p}, b=2b{sub p}, c=c{sub p}) structure model for BaAl{sub 2}O{sub 4} to neutron powder diffraction data is primarily due to the failure to take into account coherent scattering between different domains related by enantiomorphic twinning of the P6{sub 3}22 parent sub-structure. Fast Fourier transformation of [0 0 1] lattice images from small localized real space regions ({approx}10 nm in diameter) are used to show that the P6{sub 3} (a=2a{sub p}, b=2b{sub p}, c=c{sub p}) crystal structure reported for BaAl{sub 2}O{sub 4} is not correct on the local scale. The correct local symmetry of the very small nano-domains is most likely orthorhombic or monoclinic. - Graphical abstract: The electron diffraction pattern of BaAl{sub 2}O{sub 4} (left) is compatible with the 3-q superstructure corresponding to the conventional P6{sub 3}, a=2a{sub p} structure (p refers to the tridymite-related parent P6{sub 3}22 structure). Fast Fourier transforms (right) of small domains of lattice images, however, show that the local structure in fact is single q, and that true symmetry is monoclinic or orthorhombic.
- OSTI ID:
- 21128379
- Journal Information:
- Journal of Solid State Chemistry, Vol. 181, Issue 8; Other Information: DOI: 10.1016/j.jssc.2008.03.043; PII: S0022-4596(08)00170-9; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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