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.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Steurer, W. and Deloudi, S., Fascinating quasicrystals, Acta Crystallogr., Sect. A: Found. Crystallogr., 2008, vol. 64, no. 1, pp. 1–11.
Daams, J. and Villars, P., Atomic environments in relation to compound prediction, Eng. Appl. Artif. Intell., 2000, vol. 13, pp. 507–511.
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.
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.
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.
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.
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.
Mackay, A.L., A dense noncrystallographic packing of equal spheres, Acta Crystallogr., 1962, vol. 15, pp. 916–918.
Kuo, K.H., Mackay, anti-Mackay, double-Mackay, pseudo-Mackay, and related icosahedral shell clusters, Struct. Chem., 2002, vol. 13, pp. 221–230.
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.
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.
Blatov, V.A., Nanocluster analysis of intermetallic structures with the program package TOPOS, Struct. Chem., 2012, vol. 23, pp. 955–963.
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.
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © V.Ya. Shevchenko, V.A. Blatov, G.D. Ilyushin, 2013, published in Fizika i Khimiya Stekla.
Rights and permissions
About this article
Cite this article
Shevchenko, V.Y., Blatov, V.A. & Ilyushin, G.D. New types of two-layer nanoclusters with an icosahedral core. Glass Phys Chem 39, 229–234 (2013). https://doi.org/10.1134/S1087659613030188
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1087659613030188