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Hydrogen Sites In The α(TiCrSiO) 1/1 Approximant Phase

Published online by Cambridge University Press:  10 February 2011

J. Y. Kim
Affiliation:
Department of Physics, Washington University, St. Louis, MO 63130
W. J. Kim
Affiliation:
Code 6672 Naval Research Laboratory, Washington D. C. 20375–5345
W. B. Yelon
Affiliation:
University of Missouri, Research Reactor, Columbia, Missouri 65211
P. C. Gibbons
Affiliation:
Department of Physics, Washington University, St. Louis, MO 63130
K. F. Kelton
Affiliation:
Department of Physics, Washington University, St. Louis, MO 63130
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Abstract

Crystal approximant phases are important because they are believed to have a similar local atomic structure to corresponding quasicrystals. Interstitial hydrogen is used as a probe of the local structures of the Ti-based quasicrystals and crystal approximants. Phase pure samples of ct(TiCrSiO), a Mackay type 1/1 crystal approximant, which were plasma etched and coated with a thin layer of Pd, were loaded with deuterium from the gas phase to a maximum deuterium atom to metal atom ratio (D/M) of 0.26. After deuteration, the sample becomes a fine powder and remains single-phase. A Rietveld structural refinement of powder x-ray and neutron diffraction data was made to determine the location of the interstitial sites. For the fully deuterated sample the deuterium atoms sit at both octahedral and tetrahedral sites. The octahedral sites are formed by six Ti atoms in the first and second shells of the icosahedra. Deuterium atoms are also located at the tetrahedral interstitial sites formed between the clusters along <100> directions. In the partially loaded samples with DiM = 0.11, the deuterium atoms occupy only octahedral sites, demonstrating a preference for these sites.

Type
Research Article
Copyright
Copyright © Materials Research Society 1999

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