Acta Crystallographica Section B

Structural Science

Volume 55, Part 5 (October 1999)



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Acta Cryst. (1999). B55, 726-735    [doi:10.1107/S0108768199005108]

Synchrotron radiation study of yttria-stabilized zirconia, Zr0.758Y0.242O1.879

N. Ishizawa, Y. Matsushima, M. Hayashi and M. Ueki

Abstract: The fluorite-related cubic structure of yttria-stabilized zirconia, Zr0.758Y0.242O1.879, has been studied by single-crystal X-ray diffraction using synchrotron radiation and by EXAFS. Two diffraction data sets obtained at X-ray energies of 512 and 10  eV below the Y K edge revealed that in the average structure Zr atoms are displaced from the origin of the space group Fm3m along <111> by 0.19  Å, while Y atoms reside at the origin. Approximately 48% of the O atoms occupy the ideal position in the fluorite-type structure, while 43% of O atoms are displaced from the ideal position along <001> by 0.31  Å. The remaining 9% of O atoms are presumably sited at interstitial positions. Local structures around Zr and Y are investigated by combining the results of single-crystal X-ray diffraction and EXAFS studies.

Online 1 October 1999


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Structure factor file (CIF format) (3.6 kbytes)
Contains datablock ysz_n


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Structure factor file (CIF format) (3.4 kbytes)
Contains datablocks global, ysz_f


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