Acta Crystallographica Section B

Structural Science

Volume 55, Part 5 (October 1999)

research papers

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

Synchrotron radiation study of yttria-stabilized zirconia, Zr_0.758Y_0.242O_1.879

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

Abstract: The fluorite-related cubic structure of yttria-stabilized zirconia, Zr_0.75₈Y_0.24₂O_1.87₉, 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.

Keywords: Zirconia; Yttria; Synchrotron radiation; EXAFS.