Skip to main content
SpringerLink
Log in

The Symmetric and Topological Code of the Cluster Self-Assembly of the Icosahedral Structure of (Rb13)(Rb2O)3 (Fm-3c, cF184) Metal Oxide

  • Published:
Glass Physics and Chemistry Aims and scope Submit manuscript

Abstract

A search for crystal structures of A n O m metal oxides containing icosahedral i–A@A12 cluster precursors is performed (TOPOS program package, ICSD and CRYSTMET databases). Among 1802 metal oxides, the local region represented by i–Cs@Cs12 is determined in the Cs7O (P-6m2) metal oxide. In the case of the (Rb13)(Rb2O)3 (Fm-3c, cF184, V = 12409.8 Å3) metal oxide, the i–Rb@Rb12 cluster precursor with the symmetry m-3 and cluster spacers in the form of Rb–O–Rb chains, which occupy the pores in the threedimensional framework, are identified. Cluster i–Rb@Rb12 occupies position 8b with the highest possible crystallographic symmetry m-3 for icosahedron. The topological type of the basic 3D network, which characterizes the packing of cluster precursors Rb13, corresponds to a simple cubic 3D network P c (Pm-3m, cP1) with CN = 6. The symmetric and topological codes of the self-assembly processes of the crystal structure from the nanocluster precursors S 03 is fully reconstructed in the following form: primary chain S 13 → microlayer S 23 → microframework S 33 . Cluster precursors in the primary chain are flipped through 90° and are characterized by the maximum possible number of Rb–Rb bonds corresponding to 8 and this mechanism of local binding is realized at all stages of the self-assembly of the 3D framework structure. During the assembly of the primary chain and microlayer, there is additional binding of the Rb@Rb12 icosahedra via the Rb atoms of three-atomic cluster spacers Rb–O–Rb. In the 3D framework structure, in the local environment of Rb@Rb12, there are 12 Rb–O–Rb cluster spacers.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. 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.

    Article  Google Scholar 

  2. Blatov, V.A., Ilyushin, G.D., and Proserpio, D.M., Nanocluster model of intermetallic compounds with giant unit cells: ß, ß'-Mg2Al3 polymorphs, Inorg. Chem., 2010, vol. 49, no. 4, pp. 1811–1818.

    Article  Google Scholar 

  3. Pankova, A.A., Ilyushin, G.D., and Blatov, V.A., Nanoclusters based on pentagondodecahedra with shells in the form of D32, D42, and D50 deltahedra in crystal structures of intermetallic compounds, Crystallogr. Rep., 2012, vol. 57, no. 1, pp. 1–9.

    Article  Google Scholar 

  4. Pankova, A.A., Blatov, V.A., Ilyushin, G.D., and Proserpio, D.M., γ-Brass polyhedral core in intermetallics: The nanocluster model, Inorg. Chem., 2013, vol. 52, no. 22, pp. 13094–13107.

    Article  Google Scholar 

  5. Shevchenko, V.Ya., Blatov, V.A., and Ilyushin, G.D., New types of two-layer nanoclusters with an icosahedral core, Glass Phys. Chem., 2013, vol. 39, no. 3, pp. 229–234.

    Article  Google Scholar 

  6. Pankova, A.A., Akhmetshina, T.G., Blatov, V.A., and Proserpio, D.M., A collection of topological types of nanoclusters and its application to icosahedra-based intermetallics, Inorg. Chem., 2015, vol. 54, no. 13, pp. 6616–6630. http://topospro.com/.

    Article  Google Scholar 

  7. Shevchenko, V.Ya., Blatov, V.A., and Ilyushin, G.D., Modeling of self-organization processes in crystalforming systems: Symmetry and topological codes of cluster self-assembly of a 2D layered icosahedral structure of Sc18B238 (Pbam, oP514), Glass Phys. Chem., 2016, vol. 42, no. 3, pp. 221–229.

    Article  Google Scholar 

  8. Ilyushin, G.D., Modeling of the self-organization processes in crystal-forming systems. Tetrahedral metal clusters and the self-assembly of crystal structures of intermetallic compounds, Crystallogr. Rep., 2017, vol. 62, no. 5, pp. 670–682.

    Article  Google Scholar 

  9. Ilyushin, G.D., Symmetric and topological code of cluster self-assembly of intermetallics A2 [16] B4 [12] of Friauf family Mg2Cu4 and Mg2Zn4, Crystallogr. Rep., 2018, vol. 63, no. 3 (in press).

    Google Scholar 

  10. Blatov, V.A., Shevchenko, A.P., and Proserpio, D.M., Applied topological analysis of crystal structures with the program package ToposPro, Cryst. Growth Des., 2014, vol. 14, no. 7, pp. 3576–3585. http://topospro. com/.

    Article  Google Scholar 

  11. Inorganic Crystal Structure Database (ICSD), Germany: Fachinformationszentrum Karlsruhe, USA: Natl. Inst. Standard Technol.

  12. Villars, P. and Cenzual, K., Pearson’s Crystal Data-Crystal Structure Database for Inorganic Compounds (PCDIC), Materials Park, OH: ASM Int., 2007.

    Google Scholar 

  13. Ilyushin, G.D., Modelirovanie protsessov samoorganizatsii v kristalloobrazuyushchikh sistemakh (Modeling of Self-Organization Processes in Crystal-Forming Systems), Moscow: Editorial URSS, 2003.

    Google Scholar 

  14. Ilyushin, G.D. and Dem’yanets, L.N., Model’ matrichnoi sborki kristallicheskikh struktur. Fizika kristallizatsii (Model of Matrix Assembly of Crystal Structures. Crystallization Physics), Moscow: Fizmatlit, 2002.

    Google Scholar 

  15. Ilyushin, G.D., Theory of cluster self-organization of crystal-forming systems. Geometrical-topological modeling of nanocluster precursors with a hierarchical structure, Struct. Chem., 2012, vol. 20, no. 6, pp. 975–1043.

    Google Scholar 

  16. Simon, A., Metallreichstes caesiumoxid—Cs7O, Zeitschr. Anorg. Allgem. Chem., 1976, vol. 422, pp. 208–218.

    Article  Google Scholar 

  17. Deiseroth, H.J. and Simon, A., Kristallisationsvorgange bei metallreichen rubidiumoxiden, Zeitschr. Naturforsch. B, 1978, vol. 33, pp. 714–722.

    Google Scholar 

  18. Kudou, K., Okada, S., and Hamano, K., Preparation and crystal structure of B6O, Kanagawa Daigaku Kogaku Kenkyusho Shoho, 1996, vol. 19, pp. 60–65.

    Google Scholar 

  19. Waber, J.T. and Cromer, D.T., Orbital radii of atoms and ions, J. Chem. Phys., 1965, vol. 42, no. 12, pp. 4116–4123.

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, 199034, Russia

    V. Ya. Shevchenko

  2. Samara Center for Theoretical Materials Science, Samara University, Samara, 443011, Russia

    V. A. Blatov & G. D. Ilyushin

  3. Federal Research Center Crystallography and Photonics, Moscow, 119333, Russia

    G. D. Ilyushin

Authors
  1. V. Ya. Shevchenko
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. V. A. Blatov
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. G. D. Ilyushin
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to V. Ya. Shevchenko.

Additional information

Original Russian Text © V.Ya. Shevchenko, V.A. Blatov, G.D. Ilyushin, 2018, published in Fizika i Khimiya Stekla.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Shevchenko, V.Y., Blatov, V.A. & Ilyushin, G.D. The Symmetric and Topological Code of the Cluster Self-Assembly of the Icosahedral Structure of (Rb13)(Rb2O)3 (Fm-3c, cF184) Metal Oxide. Glass Phys Chem 44, 55–61 (2018). https://doi.org/10.1134/S1087659618020141

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1087659618020141

Keywords

Search

Navigation