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Electron Deformation Density Distribution in α-Boron

Published online by Cambridge University Press:  25 February 2011

G. Will ,
B. Kiefer ,
B. Morosin  and
G. A. Slack
G. Will
Affiliation:
Mineralogical Institute, University of Bonn, Bonn, BRD General Electric Research and Development, Schenectady, New York
B. Kiefer
Affiliation:
Mineralogical Institute, University of Bonn, Bonn, BRD General Electric Research and Development, Schenectady, New York
B. Morosin
Affiliation:
Sandia National Laboratories, Albuquerque, New Mexico General Electric Research and Development, Schenectady, New York
G. A. Slack
Affiliation:
Sandia National Laboratories, Albuquerque, New Mexico General Electric Research and Development, Schenectady, New York
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Abstract

The bonding features of α-boron were studied using electron density analysis procedures. Deformation density maps and valence density were calculated and the structure analysed by so-called multipole refinements, yielding R - 0.0119. The refinement model correctly describes the bonding and results in a difference density distribution free from any meaningful residual peaks.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 97: Symposium I – Novel Refractory Semiconductors , 1987 , 151
Copyright
Copyright © Materials Research Society 1987

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References

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