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Structure and Bonding of gamma-B-28: Is the High Pressure Form of Elemental Boron Ionic?
Arizona State University.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics . Linköping University, The Institute of Technology.
2010 (English)In: INORGANIC CHEMISTRY, ISSN 0020-1669, Vol. 49, no 24, 11270-11275 p.Article in journal (Refereed) Published
Abstract [en]

The recently characterized crystal structure of metastable gamma-B-28 is analyzed from a crystal chemical point of view, and the electron requirement of its building units and that of their linkage is determined. The structure consists of unique B-2 dumbbells and B-12 icosahedra, which are connected through two-center and three-center, two-electron bonds. The different bonding motifs are ascertained by theoretical calculations of difference charge distributions. Chemical bonding in high pressure gamma-B-28 bears great resemblance to alpha-B-12 which is the simplest boron modification. The previously made description of gamma-B-28 as ionic in terms of (B2)(delta+) and (B-12)(delta-) is not supported.

Place, publisher, year, edition, pages
ACS American Chemical Society , 2010. Vol. 49, no 24, 11270-11275 p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-64387DOI: 10.1021/ic101266dISI: 000285266800004OAI: diva2:390133
Available from: 2011-01-21 Created: 2011-01-21 Last updated: 2011-01-21

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Mikhaylushkin, Arkady
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Theoretical Physics The Institute of Technology
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