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Nuclear Density Analysis in Solids. The Case of Ba8Ga16Si30

Published online by Cambridge University Press:  21 March 2011

B. B. Iversen ,
A. Bentien ,
A. E. C. Palmqvist ,
D. Bryan ,
G. D. Stucky ,
A. J. Schultz  and
R. W. Henning
B. B. Iversen
Affiliation:
Department of Chemistry, University of Aarhus, Århus, Denmark
A. Bentien
Affiliation:
Max Planck Institute for the Chemical Physics of Solids, Dresden, Germany
A. E. C. Palmqvist
Affiliation:
Department of Applied Surface Chemistry, Chalmers University of Technology, Göteborg, Sweden
D. Bryan
Affiliation:
Department of Chemistry, University of California, Santa Barbara, CA, USA
G. D. Stucky
Affiliation:
Department of Chemistry, University of California, Santa Barbara, CA, USA
A. J. Schultz
Affiliation:
Intense Pulsed Neutron Source, Argonne National Laboratory, Argonne, IL-60439, USA
R. W. Henning
Affiliation:
Intense Pulsed Neutron Source, Argonne National Laboratory, Argonne, IL-60439, USA
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Abstract

Multi-temperature (15, 100, 150, 200, 300, 450, 600, 900 K) single crystal neutron diffraction data on the type I clathrate Ba8Ga16Si30 are analyzed with the maximum entropy method to obtain direct space nuclear densities. The nuclear densities suggest that the guest atoms are structurally disordered, and the disorder appears to be temperature dependent with increased host-guest interaction at high temperatures.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 691: Symposium G – Thermoelectric Materials 2001--Research and Applications , 2001 , G14.3
Copyright
Copyright © Materials Research Society 2002

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References

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