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Electron-Deficient and Polycenter Bonds in the High-Pressure gamma-B-28 Phase of Boron

Mondal, Swastik (author)
Laboratory of Crystallography, University of Bayreuth, Germany
van Smaalen, Sander (author)
Laboratory of Crystallography, University of Bayreuth, Germany
Schoenleber, Andreas (author)
Laboratory of Crystallography, University of Bayreuth, Germany
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Filinchuk, Yaroslav (author)
Swiss-Norwegian Beam Line, ESRF, Grenoble, France
Chernyshov, Dmitry (author)
Swiss-Norwegian Beam Line, ESRF, Grenoble, France
Simak, Sergey (author)
Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
Mikhaylushkin, Arkady (author)
Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
Abrikosov, Igor (author)
Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
Zarechnaya, Evgeniya (author)
Bayerisches Geoinstitut, University of Bayreuth, Germany
Dubrovinsky, Leonid (author)
Bayerisches Geoinstitut, University of Bayreuth, Germany
Dubrovinskaia, Natalia (author)
Laboratory of Crystallography, University of Bayreuth, Germany
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 (creator_code:org_t)
American Physical Society, 2011
2011
English.
In: PHYSICAL REVIEW LETTERS. - : American Physical Society. - 0031-9007. ; 106:21, s. 215502-
Related links:
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https://doi.org/10.1...
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  • Journal article (peer-reviewed)
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  • 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.

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