Structural Characterization of NA2ZRO3

Bastow, Timothy J. and Hobday, M.E. and Smith, Mark E. and Whitfield, Harold J. (1994) Structural Characterization of NA2ZRO3. Solid State Nuclear Magnetic Resonance, 3 (2). pp. 49-57. ISSN 0926-2040. (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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A combination of X-ray and electron diffraction, electron microscopy and solid-state nuclear magnetic resonance (NMR) has been used to elucidate the structure and the ordering of Na2ZrO3. The diffraction data confirm a monoclinic crystal structure. A sample prepared by a conventional solid-state reaction of the components is shown by both X-ray diffraction and electron microscope imaging to have an extremely high concentration of planar defects associated with stacking disorder of the planes along the c-axis. The incidence of these defects is significantly reduced in a sample recrystallised from a bismuth oxide flux. NMR indicates that the local coordinations are well defined in both samples but with some sharpening of the spectra from the recrystallised sample indicative of the increase of long-range order. The Na-23 magic angle spinning (MAS) NMR spectra clearly show three distinct sites with widely differing quadrupolar interaction parameters that can be related to the known site symmetries. Two distinct oxygen resonances are observed in the MAS NMR spectrum from an O-17-enriched sample while the static Zr-91 NMR spectrum can be simulated with one set of interaction parameters.

Item Type: Article
Subjects: Q Science > QD Chemistry
Divisions: Faculties > Science Technology and Medical Studies > School of Biosciences
Depositing User: P. Ogbuji
Date Deposited: 27 Aug 2009 10:20
Last Modified: 17 Jun 2014 10:40
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