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Erschienen in:
1990 | OriginalPaper | Buchkapitel
Electronic Structure of Lithium Boride Li3B14
verfasst von : D. W. Bullett
Erschienen in: The Physics and Chemistry of Carbides, Nitrides and Borides
Verlag: Springer Netherlands
Enthalten in: Professional Book Archive
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A number of binary lithium borides have been reported, but none of these phases had been well characterised until the recent single-crystal determinations by Mair, Nesper and von Schnering. We report here a calculation of the electron states in the novel Li3B14 structure. This tetragonal crystal structure contains a covalently linked framework of B8 and B10 clusters (in the ratio of 1:2), with Li atoms in the interstitial channels. The chemical formula Li6(B8)(B10)2 supplies the boron framework with exactly the right number of electrons to fulfil the bonding requirements within and between the boron clusters, and the calculated energy gap of ≈ 2eV in the electron spectrum is consistent with the experimental properties of this transparent, red, diamagnetic semiconductor.