Published in

Oldenbourg Verlag, Zeitschrift für Kristallographie, 7(222), p. 335-340, 2007

DOI: 10.1524/zkri.2007.222.7.335

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High-temperature neutron powder diffraction study of scandia/nitrogen co-doped zirconia

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Data provided by SHERPA/RoMEO

Abstract

The structural evolution of a scandia/nitrogen co-doped zirconia sample, Sc0.148Zr0.852O1.72N0.14, was investigated by neutron powder diffraction up to 1700 °C. At ambient temperature it has an anion-deficient fluorite related β′-type structure with ordered anion vacancies (space group R-3, a = 9.5611 Å, c = 17.5020 Å). With increasing temperature a gradual transformation into a cubic fluorite-type phase (Fm3m) with randomly distributed vacancies takes place which is accompanied by an enrichment of Sc in the rhombohedral phase and completed at ∼1050°C. At higher temperatures probability densities and single particle potentials of the anions were determined. The incorporation of nitrogen into the scandia-zirconia material significantly increased the activation energy for anion migration to values above 1 eV. The anions migrate predominantly along the <100>-directions to neighbouring sites.