Proffen, Th.; Neder, R. B.; Frey, Friedrich (1996): Neutron and X-ray Diffuse Scattering of Calcium-Stabilized Zirconia. In: Acta Crystallographica Section B: Structural Science, Vol. 52, Nr. 1: S. 59-65
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The defect structure of calcium-stabilized zirconia (CSZ) is described in terms of a correlated distribution of microdomains within the cubic matrix of CSZ. The defect structure consists of two types of defects: microdomains based on a single oxygen vacancy with relaxed neighbouring ions and microdomains based on a pair of oxygen vacancies separated by 31/2/2α along <111>. The combined evaluation of neutron and X-ray data shows that the previously published structure of the single vacancy domain has to be modified: All cations next to the oxygen vacancy are most likely zirconium. This modified model leads to good agreement between observed and calculated neutron and X-ray diffraction patterns.