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Amendment of the Li-Bi Phase Diagram Crystal and Electronic Structure of Li2Bi

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Abstract

The phase diagram of the Li-Bi binary system was amended by x-ray analysis and differential scanning calorimetry. The formation of the binary compound Li2Bi was confirmed and its structure determined by x-ray single crystal diffraction. The Li2Bi compound crystallizes with the Mg2Ga structure type (space group P-62c, hP18, a = 8.0712(4) Å, c = 6.8352(3) Å). The analysis of the interatomic distances together with electronic structure calculations using the tight-binding linear muffin-tin orbital atomic spheres approximations (TB-LMTO-ASA) indicate the dominance of a metallic type of bonding, although there is a weak partially ionic bonding, caused by charge transfer from Li to Bi.

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Acknowledgments

Financial support from the National Science Centre, Poland (No. 2014/15/B/ST8/00101) is gratefully acknowledged.

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Authors and Affiliations

  1. Department of Inorganic Chemistry, Ivan Franko Lviv National University, Kyryla and Mefodiya Str., 6, Lviv, 79005, Ukraine

    Volodymyr Pavlyuk, Martyn Sozanskyi & Grygoriy Dmytriv

  2. Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, Al. Armii Krajowej 13/15, 42-200, Czestochowa, Poland

    Volodymyr Pavlyuk

  3. Karlsruhe Institute of Technology (KIT), Institute for Applied Materials (IAM), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany

    Sylvio Indris & Helmut Ehrenberg

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  1. Volodymyr Pavlyuk
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Correspondence to Volodymyr Pavlyuk.

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Pavlyuk, V., Sozanskyi, M., Dmytriv, G. et al. Amendment of the Li-Bi Phase Diagram Crystal and Electronic Structure of Li2Bi. J. Phase Equilib. Diffus. 36, 544–553 (2015). https://doi.org/10.1007/s11669-015-0409-z

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  • DOI: https://doi.org/10.1007/s11669-015-0409-z

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