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Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia.
- Source :
-
Acta crystallographica Section B, Structural science, crystal engineering and materials [Acta Crystallogr B Struct Sci Cryst Eng Mater] 2023 Apr 01; Vol. 79 (Pt 2), pp. 138-147. Date of Electronic Publication: 2023 Feb 24. - Publication Year :
- 2023
-
Abstract
- Three-dimensional difference pair distribution functions (3D-ΔPDFs) from X-ray and neutron diffraction experiments are reported for yttria-stabilized zirconia (Zr <subscript>0.82</subscript> Y <subscript>0.18</subscript> O <subscript>1.91</subscript> ). A quantitative analysis of the signatures in the three-dimensional difference pair distribution functions is used to establish that oxygen ions neighbouring a vacancy shift by 0.525 (5) Å along ⟨1, 0, 0⟩ towards the vacancy while metal ions neighbouring a vacancy shift by 0.465 (2) Å along ⟨1, 1, 1⟩ away from the vacancy. The neutron 3D-ΔPDF shows a tendency for vacancies to cluster along ⟨½, ½, ½⟩, which results in sixfold coordinated metal ions.<br /> (open access.)
Details
- Language :
- English
- ISSN :
- 2052-5206
- Volume :
- 79
- Issue :
- Pt 2
- Database :
- MEDLINE
- Journal :
- Acta crystallographica Section B, Structural science, crystal engineering and materials
- Publication Type :
- Academic Journal
- Accession number :
- 36920878
- Full Text :
- https://doi.org/10.1107/S205252062300121X