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Location of deuteron sites in the proton conducting perovskite BaZr0.50In0.50O3-y

Ahmed, Istaq, 1972 (author)
Gothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry,University of Gothenburg
Knee, Christopher, 1973 (author)
Chalmers tekniska högskola,Chalmers University of Technology
Karlsson, Maths, 1978 (author)
Chalmers tekniska högskola,Chalmers University of Technology
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Eriksson, Sten, 1958 (author)
Chalmers tekniska högskola,Chalmers University of Technology
Henry, Paul F. (author)
Institut Laue-Langevin
Matic, Aleksandar, 1968 (author)
Chalmers tekniska högskola,Chalmers University of Technology
Engberg, Dennis, 1965 (author)
Chalmers tekniska högskola,Chalmers University of Technology
Börjesson, Lars, 1957 (author)
Chalmers tekniska högskola,Chalmers University of Technology
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 (creator_code:org_t)
Elsevier BV, 2008
2008
English.
In: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388. ; 450:1-2, s. 103-110
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • High-resolution neutron powder diffraction data have been collected on deuterated and dried samples of the perovskite BaZr0.5In0.5O2.75 at 5 K and room temperature, respectively. Inspection of Fourier nuclear density maps for the deuterated phase have allowed the deuteron position to be refined on a 12h (1/2, y, 0) crystallographic site, with y = 0.217(4) yielding a chemically reasonable O-D distance of 0.92(2) angstrom. Evidence for anisotropy of the deuteron position is also found consistent with a 24k crystallographic site (0.56, 0.21, 0) indicative of displacements of the ion towards neighbouring oxygen ions. The presence of static oxygen disorder in both the dried and deuterated samples is apparent from the structural analyses. Raman spectra confirm short range deviations from cubic symmetry for both dried and hydrated samples.

Subject headings

TEKNIK OCH TEKNOLOGIER  -- Annan teknik -- Övrig annan teknik (hsv//swe)
ENGINEERING AND TECHNOLOGY  -- Other Engineering and Technologies -- Other Engineering and Technologies not elsewhere specified (hsv//eng)
TEKNIK OCH TEKNOLOGIER  -- Materialteknik -- Annan materialteknik (hsv//swe)
ENGINEERING AND TECHNOLOGY  -- Materials Engineering -- Other Materials Engineering (hsv//eng)
NATURVETENSKAP  -- Kemi -- Oorganisk kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

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