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

Journal of Phase Equilibria and Diffusion volume 36, pages 544–553 (2015)Cite this article

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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References

  1. B. Scrosati and J. Garche, Lithium Batteries: Status, Prospects and Future, J. Power Sources, 2010, 195, p 2419-2430

    Article  Google Scholar 

  2. C.-M. Park, J.-H. Kim, H. Kim, and H.-J. Sohn, Li-Alloy Based Anode Materials for Li Secondary Batteries, Chem. Soc. Rev., 2010, 39, p 3115-3141

    Article  Google Scholar 

  3. F. Thoss, L. Giebeler, S. Oswald, H. Ehrenberg, and J. Eckert, Study on the Reversible Li-Insertion of Amorphous and Partially Crystalline Al86Ni8La6 and Al86Ni8Y6 Alloys as Anode Materials for Li-Ion Batteries, Electrochim. Acta, 2012, 60, p 85-94

    Article  Google Scholar 

  4. I. Chumak, G. Dmytriv, V. Pavlyuk, S. Oswald, J. Eckert, H. Trill, and H. Eckert, Li(Al1-zZnz) Alloys as Anode Materials for Rechargeable Li-Ion Batteries, J. Mater. Res., 2010, 25, p 1492-1499

    Article  ADS  Google Scholar 

  5. V. Pavlyuk, G. Dmytriv, I. Chumak, O. Gutfleisch, I. Lindemann, and H. Ehrenberg, High Hydrogen Content Super-Lightweight Intermetallics from the Li-Mg-Si System, Int. J. Hydrogen Energy, 2013, 38, p 724-737

    Article  Google Scholar 

  6. G. Dmytriv, H. Pauly, H. Ehrenberg, V. Pavlyuk, and E. Vollmar, Homogeneity Range of the NaTl-type Zintl Phase in the Ternary System Li-In-Ag, J. Solid State Chem., 2005, 178, p 2825-2831

    Article  ADS  Google Scholar 

  7. V. Pavlyuk, G. Dmytriv, I. Chumak, H. Ehrenberg, and H. Pauly, The Crystal Structure of the LiAg2In Compound, J. Solid State Chem., 2005, 178, p 3303-3307

    Article  ADS  Google Scholar 

  8. V. Pavlyuk, G. Dmytriv, I. Tarasiuk, H. Pauly, and H. Ehrenberg, The Ternary Indide Li278(In, Ag)154: A New n = 6 Variant of Cubic n × n×n W-Type Superstructures, Intermetallics, 2007, 15, p 1409-1415

    Article  Google Scholar 

  9. V. Pavlyuk, G. Dmytriv, I. Tarasiuk, I. Chumak, H. Pauly, and H. Ehrenberg, Li8Cu12+xAl6−x (x = 1.16): A New Structure Type Related to Laves Phases, Acta Crysallogr., 2008, C64, p 15-17

    Google Scholar 

  10. V. Pavlyuk, G. Dmytriv, I. Tarasiuk, I. Chumak, H. Pauly, and H. Ehrenberg, Li12Cu16+xAl26−x (x = 3.2): A New Intermetallic Structure Type, Acta Crysallogr., 2008, C64, p 73-75

    Google Scholar 

  11. V. Pavlyuk, G. Dmytriv, I. Tarasiuk, I. Chumak, H. Pauly, and H. Ehrenberg, Polymorphism of LiAg. Solid State, Science, 2010, 12, p 274-280

    Google Scholar 

  12. G. Dmytriv, V. Pavlyuk, H. Pauly, J. Eckert, and H. Ehrenberg, New Real Ternary and Pseudoternary Phases in the Li-Au-In-System, J. Solid State Chem., 2011, 184, p 1328-1332

    Article  ADS  Google Scholar 

  13. V. Pavlyuk, I. Chumak, and H. Ehrenberg, Polymorphism of Li2Zn3, Acta Crysallogr., 2012, B68, p 34-39

    Article  Google Scholar 

  14. V. Pavlyuk, I. Chumak, L. Akselrud, S. Lidin, and H. Ehrenberg, LiZn4−x (x = 0.825) as a (3 + 1)-Dimensional Modulated Derivative of Hexagonal Close Packing, Acta Crysallogr., 2014, B70, p 212-217

    Google Scholar 

  15. V. Pavlyuk, I. Chumak, and H. Ehrenberg, Binary Lithium Indides Li22−x In8+x (x = 0.1), Li11−x In4+x (x = 1.05), and Li10−x In2+x (x = 1.59) with Clusters, Eur. J. Inorg. Chem., 2014, 12, p 2053-2064

    Google Scholar 

  16. G. Grube, H. Vosskühler, and H. Schlecht, Electrical Conductivity and Phase Diagrams of Binary Alloys. 12. The Bi-Li System, Z. Elektmchem., 1934, 40, p 270-274

    Google Scholar 

  17. E. Zintl and G. Brauer, Metals and Alloys. 14. Constitution of Bi-Li Alloys, Z. Elektmchem., 1935, 41, p 297-303

    Google Scholar 

  18. W. Weppner and R.A. Huggins, Thermodynamic Properties of the Intermetallic Systems Li-Sb and Li-B, J. Electrochem. Soc., 1978, 125, p 7-14

    Article  Google Scholar 

  19. R. Gobrecht, On Li Bismuthide, Ann. Phys. Ser., 1967, 20(5/6), p 262-264

    Article  Google Scholar 

  20. W. Seith and O. Kubaschewski, The Heats of Formation of Several Alloys, Z. Elektmchem., 1937, 43, p 743-749

    Google Scholar 

  21. M.S. Foster, S.E. Wood, and C.E. Crouthamel, Thermodynamics of Binary Alloys. I. The Bi-Li System, Inorg. Chem., 1964, 3, p 1428-1431

    Article  Google Scholar 

  22. B. Predel and G. Oehme, Calorimetric Study of Liquid Li-Tl, In-Li and Bi-Li Alloys, Z. Metallkd., 1979, 70, p 618-623

    Google Scholar 

  23. A. Neubert, H.R. Ihle, and K.A. Gingerich, Thermodynamic Study of the Molecules BiLi and PbLi by Knudsen Effusion Mass Spectrometry, J. Chem. Phys., 1980, 73, p 1406-1409

    Article  ADS  Google Scholar 

  24. J. Sangster and A.D. Pelton, The Bi-Li (Bismuth-Lithium) System, J. Phase Equilibria, 1991, 12, p 447-450

    Article  Google Scholar 

  25. M. Hiratani, Y. Ito, K. Miyauchi, and T. Kudo, Thin Film Formation of Li-Bi Alloy and Identification of a New Intermetallic Compound, Mater. Res. Bull., 1988, 23, p 1739-1746

    Article  Google Scholar 

  26. H. Pauly, A. Weiss, and H. Witte, The Crystal Structure of the Ternary Intermetallic Phases Li2 EX (E = Cu, Ag, Au; X = Al, Ga, In, Tl, Si, Ge, Sn, Pb, Sb, Bi), Z. Metallk., 1968, 59, p 47-58

    Google Scholar 

  27. J. Rodriguez-Carvajal, Recent Advances in Magnetic Structure Determination by Neutron Powder Diffraction, Physica B, 1993, 192, p 55-69

    Article  ADS  Google Scholar 

  28. CrysAlis PRO Agilent, CrysAlis PRO, Agilent Technologies, Yarnton, 2011

  29. G.M. Sheldrick, SHELXS, Program for the Solution of Crystal Structures, University of Goettingen, Goettingen, 1997

    Google Scholar 

  30. G.M. Sheldrick, SHELXL-97, Program for Crystal Structure Refinement, University of Goettingen, Goettingen, 1997

    Google Scholar 

  31. O.K. Andersen, Linear Methods in Band Theory, Phys. Rev. B, 1975, 12, p 3060-3083

    Article  ADS  Google Scholar 

  32. O.K. Andersen and O. Jepsen, Explicit, First-Principles Tight-Binding Theory, Phys. Rev. Lett., 1984, 53, p 2571-2574

    Article  ADS  Google Scholar 

  33. O.K. Andersen, Z. Pawlowska, and O. Jepsen, Illustration of the Linear-Muffin-Tin-Orbital Tight-Binding Representation: Compact Orbitals and Charge Density in Si, Phys. Rev. B, 1986, 34, p 51-53

    Article  Google Scholar 

  34. U. von Barth and L. Hedin, A Local Exchange-Correlation Potential for the Spin Polarized Case, I. J. Phys. C, 1972, 5, p 1629-1714

    Article  ADS  Google Scholar 

  35. B. Eck, wxDragon 1.6.6, Aachen, 1994-2010, http://www.ssc.rwth-aachen.de, Accessed Apr 7, 2013

  36. K. Frank and K. Schubert, Kristallstruktur von Mg2Ga und Mg2Tl, J. Less Common Met., 1970, 20, p 215-221

    Article  Google Scholar 

  37. P. Villars and K. Cenzual, Pearson’s Crystal, Version 1.0, Release 2007/8, ASM International, Materials Park

Download references

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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  2. Martyn Sozanskyi
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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

Keywords

  • binary diagram
  • crystal structure
  • intermetallics