On the microstructure and symmetry of apparently hexagonal BaAl{sub 2}O{sub 4}

Withers, R L; Perez-Mato, J M; Fitz Gerald, J D; Saines, P J; Kennedy, B J; Liu, Y

doi:10.1016/j.jssc.2008.03.043

Title: On the microstructure and symmetry of apparently hexagonal BaAl{sub 2}O{sub 4}

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Abstract

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 localmore »« less

Authors:

Withers, R L ^[1]; Perez-Mato, J M ^[2]; Fitz Gerald, J D ^[3]; Saines, P J; Kennedy, B J ^[4]; Liu, Y ^[1]

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)

Publication Date:: Fri Aug 15 00:00:00 EDT 2008

OSTI Identifier:: 21128379

Resource Type:: Journal Article

Journal Name:: Journal of Solid State Chemistry

Additional Journal Information:: Journal Volume: 181; Journal 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); Journal ID: ISSN 0022-4596

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALUMINATES; ELECTRON DIFFRACTION; HEXAGONAL LATTICES; MICROSTRUCTURE; MONOCLINIC LATTICES; NEUTRON DIFFRACTION; ORTHORHOMBIC LATTICES; SYMMETRY; TEMPERATURE RANGE 0273-0400 K; TRANSMISSION ELECTRON MICROSCOPY; TWINNING

Citation Formats


                    Larsson, A.-K., Withers, R L, Perez-Mato, J M, Fitz Gerald, J D, Saines, P J, Kennedy, B J, and Liu, Y. On the microstructure and symmetry of apparently hexagonal BaAl{sub 2}O{sub 4}.  United States: N. p., 2008. 
        Web.  doi:10.1016/j.jssc.2008.03.043.

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                    Larsson, A.-K., Withers, R L, Perez-Mato, J M, Fitz Gerald, J D, Saines, P J, Kennedy, B J, & Liu, Y. On the microstructure and symmetry of apparently hexagonal BaAl{sub 2}O{sub 4}.  United States.  https://doi.org/10.1016/j.jssc.2008.03.043

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                    Larsson, A.-K., Withers, R L, Perez-Mato, J M, Fitz Gerald, J D, Saines, P J, Kennedy, B J, and Liu, Y. 2008.  
        "On the microstructure and symmetry of apparently hexagonal BaAl{sub 2}O{sub 4}".  United States.  https://doi.org/10.1016/j.jssc.2008.03.043.

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@article{osti_21128379,

  title        = {On the microstructure and symmetry of apparently hexagonal BaAl{sub 2}O{sub 4}},

  author       = {Larsson, A.-K. and Withers, R L and Perez-Mato, J M and Fitz Gerald, J D and Saines, P J and Kennedy, B J and Liu, Y},

  abstractNote = {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.},

  doi          = {10.1016/j.jssc.2008.03.043},

  url          = {https://www.osti.gov/biblio/21128379},
  journal      = {Journal of Solid State Chemistry},

  issn         = {0022-4596},

  number       = 8,

  volume       = 181,

  place        = {United States},

  year         = {Fri Aug 15 00:00:00 EDT 2008},

  month        = {Fri Aug 15 00:00:00 EDT 2008}

}

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