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Electron-Deficient and Polycenter Bonds in the High-Pressure gamma-B-28 Phase of Boron
Laboratory of Crystallography, University of Bayreuth, Germany.
Laboratory of Crystallography, University of Bayreuth, Germany.
Laboratory of Crystallography, University of Bayreuth, Germany.
Swiss-Norwegian Beam Line, ESRF, Grenoble, France.
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2011 (English)In: PHYSICAL REVIEW LETTERS, ISSN 0031-9007, Vol. 106, no 21, 215502- p.Article in journal (Refereed) Published
Abstract [en]

The peculiar bonding situation in gamma boron is characterized on the basis of an experimental electron-density distribution which is obtained by multipole refinement against low-temperature single-crystal x-ray diffraction data. A topological analysis of the electron-density distribution reveals one-electron-two-center bonds connecting neighboring icosahedral B-12 clusters. A unique polar-covalent two-electron-three-center bond between a pair of atoms of an icosahedral cluster and one atom of the interstitial B-2 dumbbell explains the observed charge separation in this high-pressure high-temperature polymorph of boron.

Place, publisher, year, edition, pages
American Physical Society , 2011. Vol. 106, no 21, 215502- p.
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Engineering and Technology
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URN: urn:nbn:se:liu:diva-68901DOI: 10.1103/PhysRevLett.106.215502ISI: 000290940200010OAI: oai:DiVA.org:liu-68901DiVA: diva2:422024
Note
Original Publication: Swastik Mondal, Sander van Smaalen, Andreas Schoenleber, Yaroslav Filinchuk, Dmitry Chernyshov, Sergey Simak, Arkady Mikhaylushkin, Igor Abrikosov, Evgeniya Zarechnaya, Leonid Dubrovinsky and Natalia Dubrovinskaia, Electron-Deficient and Polycenter Bonds in the High-Pressure gamma-B-28 Phase of Boron, 2011, PHYSICAL REVIEW LETTERS, (106), 21, 215502. http://dx.doi.org/10.1103/PhysRevLett.106.215502 Copyright: American Physical Society http://www.aps.org/ Available from: 2011-06-10 Created: 2011-06-10 Last updated: 2011-06-21

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