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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.

IMPACT FACTOR 2018: 1.090
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CiteScore 2018: 1.47

SCImago Journal Rank (SJR) 2018: 0.892
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Volume 222, Issue 7


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

Martin Lerch / Hans Boysen / T. Christoph Rödel / Ines Kaiser-Bischoff / Markus Hoelzel / Anatoliy Senyshyn
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zkri.2007.222.7.335

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.

Keywords: Zirconia; Neutron diffraction; Solid electrolytes; Powder diffraction structure analysis

About the article

Received: 2007-12-18

Accepted: 2007-02-03

Published Online: 2009-09-25

Published in Print: 2007-07-01

Citation Information: Zeitschrift für Kristallographie, Volume 222, Issue 7, Pages 335–340, ISSN (Print) 0044-2968, DOI: https://doi.org/10.1524/zkri.2007.222.7.335.

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