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Glass Physics and Chemistry

, Volume 39, Issue 3, pp 229–234 | Cite as

New types of two-layer nanoclusters with an icosahedral core

  • V. Ya. Shevchenko
  • V. A. Blatov
  • G. D. Ilyushin
Article

Abstract

New types of 63-atom two-layer nanoclusters based on the icosahedral core and having the maximum symmetry D 3d or T h in crystal have been found using the method of the nanocluster analysis (the TOPOS program package) in the database that was created of crystal structures of intermetallides containing 20319 compounds. It has been shown that these nanoclusters may participate in assembling the crystal and/or be present there as stable fundamental configurations of atoms. The possibilities of the method of the nanocluster analysis have been demonstrated by the example of calculating the chemical composition of the crystal presented as an ensemble of nanoclusters.

Keywords

nanocluster icosahedron fundamental configurations intermetallides topology 

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References

  1. 1.
    Steurer, W. and Deloudi, S., Fascinating quasicrystals, Acta Crystallogr., Sect. A: Found. Crystallogr., 2008, vol. 64, no. 1, pp. 1–11.CrossRefGoogle Scholar
  2. 2.
    Daams, J. and Villars, P., Atomic environments in relation to compound prediction, Eng. Appl. Artif. Intell., 2000, vol. 13, pp. 507–511.CrossRefGoogle Scholar
  3. 3.
    Shevchenko, V.Ya., Blatov, V.A., and Ilyushin, G.D., Structural chemistry of metal microclusters: Questions and answers, Glass Phys. Chem., 2009, vol. 35, no. 1, pp. 1–12.CrossRefGoogle Scholar
  4. 4.
    Shevchenko, V.Ya., Blatov, V.A., and Ilyushin, G.D., Intermetallic compounds of the NaCd2 family perceived as assemblies of nanoclusters, Struct. Chem., 2009, vol. 20, no. 6, pp. 975–982.CrossRefGoogle Scholar
  5. 5.
    Blatov, V.A., Ilyushin, G.D., and Proserpio, D.M., Nanocluster model of intermetallic compounds with giant unit cells: β, β′-Mg2Al3 polymorphs, Inorg. Chem., 2010, vol. 49, pp. 1811–1818.CrossRefGoogle Scholar
  6. 6.
    Blatov, V.A., Ilyushin, G.D., and Proserpio, D.M., New types of multishell nanoclusters with a Frank-Kasper polyhedral core in intermetallics, Inorg. Chem., 2011, vol. 50, pp. 5714–5724.CrossRefGoogle Scholar
  7. 7.
    Blatov, V.A. and Ilyushin, G.D., Geometric and topological analysis of icosahedral structures of Samson Mg2Zn11 (cP39) phases, K6Na15Tl18H (cP40), and Tm3In7Co9 (cP46): Nanocluster precursors, self-assembly mechanism, and superstructure ordering, Russ. J. Inorg. Chem., 2011, vol. 56, no. 5, pp. 729–737.CrossRefGoogle Scholar
  8. 8.
    Mackay, A.L., A dense noncrystallographic packing of equal spheres, Acta Crystallogr., 1962, vol. 15, pp. 916–918.CrossRefGoogle Scholar
  9. 9.
    Kuo, K.H., Mackay, anti-Mackay, double-Mackay, pseudo-Mackay, and related icosahedral shell clusters, Struct. Chem., 2002, vol. 13, pp. 221–230.CrossRefGoogle Scholar
  10. 10.
    Bergman, G., Waugh, J.L.T., and Pauling, L., The crystal structure of the metallic phase Mg32(Al,Zn)49, Acta Crystallogr., 1957, vol. 10, pp. 254–259.CrossRefGoogle Scholar
  11. 11.
    Vainshtein, B.K., Fridkin, V.M., and Indenbon, V.L., Sovremennaya kristallografiya, Moscow: Nauka, 1979, vol. 2. Translated under the title Modern Crystallography: II. Structure of Crystals, Berlin: Springer-Verlag, 1982.Google Scholar
  12. 12.
    Blatov, V.A., Nanocluster analysis of intermetallic structures with the program package TOPOS, Struct. Chem., 2012, vol. 23, pp. 955–963.CrossRefGoogle Scholar
  13. 13.
    Gratz, E., Goremychkin, E., Latroche, M., Hilscher, G., Rotter, M., Muller, H., Lindbaum, A., Michor, H., Paul-Boncour, V., and Fernandez-Diaz, T., New magnetic phenomena in TbNi2, J. Phys.: Condens. Matter, 1999, vol. 11, pp. 7893–7905.CrossRefGoogle Scholar

Copyright information

© Pleiades Publishing, Ltd. 2013

Authors and Affiliations

  • V. Ya. Shevchenko
    • 1
  • V. A. Blatov
    • 2
  • G. D. Ilyushin
    • 3
  1. 1.Grebenshchikov Institute of Silicate ChemistryRussian Academy of SciencesSt. PetersburgRussia
  2. 2.Samara State UniversitySamaraRussia
  3. 3.Shubnikov Institute of CrystallographyRussian Academy of SciencesMoscowRussia

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