Skip to main content
SpringerLink
Log in

Cluster Self-Organization of Intermetallic Systems: K66 and K130 Clusters for the Self-Assembly of the K78In160-hP238 Crystal Structure and K17 Clusters for the Self-Assembly of the K8In11-hR114 Crystal Structure

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

Abstract

The combinatorial topological analysis and modeling of self-assembly of the K78In160-hP238 (space group P-3m1, a = b = 17.211, c = 28.888 Å, V = 7410 Å3) and K8In11-hR114 (space group R-3c, a = b = 10.021 Å, c = 50.891 Å, V = 4426 Å3) crystal structures are performed by computer methods (the ToposPro software package). Icosahedra In12 (with the -3m symmetry) are the templates on which three-layer clusters K130 = 0@12(In12)@30(In12K18)@86(K20In66) with the diameter of 17 Å are formed. The two-layer cluster K66 formed on Friauf polyhedra K(K4In12) (with 3m symmetry) has a chemical composition of shells K@16(K4In12)@49(K16In33) and a diameter of 14 Å. The K130 and K66 nanoclusters are framework-forming and involved in the formation of 2D layers A and B, respectively, thus forming a three-layer B–A–B package. The In12 clusters (with the -3m symmetry), In8 hexagonal bipyramids (with the 3m symmetry), and K spacer atoms are located in the voids of the layer of the K66 clusters. The three-layer package thickness corresponds to the value of the translation vector modulus c = 28.888 Å. The framework structure is formed by linking the three-layer B–A–B packages in the [001] direction. The cluster precursor K17 = 0@In11K6 is installed for K8In11-hR114 in the form of a triangular In5 bipyramid on six faces of which In atoms are located with six bound potassium atoms. The microlayer is formed when the primary chains are bound in the (001) plane with a shift. The localization of the K spacer atoms takes place in the layer. The microframework of the structure is formed when the microlayers are bound with a shift.

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

Fig. 1.
Fig. 2.
Fig. 3.
Fig. 4.
Fig. 5.
Fig. 6.
Fig. 7.
Fig. 8.

Similar content being viewed by others

REFERENCES

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

  2. Inorganic Crystal Structure Database (ICSD), Karlsruhe: Fachinformationszentrum, USA: NIST.

  3. Brussone, G., The D13 structure type in intermetallic compounds, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem., 1969, vol. 25, pp. 1206–1207.

    Article  Google Scholar 

  4. Amerioun, S. and Haeussermann, U., Structure and bonding of Sr3 In11: How size and electronic effects determine structural stability of polar intermetallic compounds, Inorg. Chem., 2003, vol. 42, pp. 7782–7788.

    Article  CAS  Google Scholar 

  5. Blase, W. and Cordier, G., Crystal structure of potassium indium (8/11), K8 In11, Z. Kristallogr., 1991, vol. 194, pp. 150–151.

    CAS  Google Scholar 

  6. Cordier, G. and Mueller, V., Crystal structure of octapotassium undecathallide, K8 Tl11, Z. Kristallogr., 1992, vol. 198, pp. 281–282.

    Article  CAS  Google Scholar 

  7. Cordier, G. and Mueller, V., Crystal structure of octarubidium undecaindide, Rb8 In11 in the (K8In11)-type, Z. Kristallogr., 1993, vol. 203, pp. 154–155.

    CAS  Google Scholar 

  8. Cordier, G. and Mueller, V., Crystal structure of octarubidium undecathallide, Rb8 Tl11 in the (K8In11)-type, Z. Kristallogr., 1993, vol. 203, pp. 152–153.

    CAS  Google Scholar 

  9. Kaskel, S., Klem, M.T., and Corbett, J.D., Polyatomic clusters of the triel elements. Palladium-centered clusters of thallium in A8 Tl11 Pd, A = Cs, Rb, K, Inorg. Chem., 2002, vol. 41, pp. 3457–3462.

    Article  CAS  Google Scholar 

  10. Henning, R.W. and Corbett, J.D., Cs8 Ga11, a new isolated cluster in a binary gallium compound. A family of valence analogues A8 Tr11 X: A = Cs, Rb; Tr = Ga, In, Tl; X = Cl, Br, I, Inorg. Chem., 1997, vol. 36, pp. 6045–6049.

    Article  CAS  Google Scholar 

  11. Cordier, G. and Müller, V., Crystal structure of potassium indium (17/41), K17 In41, Z. Kristallogr., 1993, vol. 205, pp. 353–354.

    CAS  Google Scholar 

  12. Cordier, G. and Müller, V., Crystal structure of potassium indium (22 – x/39 + x) (x = 0.67), K21.33In39.67, Z. Kristallogr., 1992, vol. 198, pp. 302–303.

    Article  CAS  Google Scholar 

  13. Lin, B. and Corbett, J.D., Synthesis and characterization of the new cluster phase K39 In80. Three K–In compounds with remarkably specific and transferable cation dispositions, Inorg. Chem., 2003, vol. 42, pp. 8768–8772.

    Article  Google Scholar 

  14. 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, pp. 3576–3585.

    Article  CAS  Google Scholar 

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

  16. 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, pp. 670–682.

  17. 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.

    Article  CAS  Google Scholar 

  18. Ilyushin, G.D., Symmetry and topology code of the cluster self-assembly of intermetallic compounds \({\text{A}}_{{\text{2}}}^{{[{\text{16}}]}}{\text{B}}_{{\text{4}}}^{{[{\text{12}}]}}\) of the Friauf families Mg2Cu4 and Mg2Zn4, Crystallogr. Rep., 2018, vol. 63, pp. 543–552.

    Article  CAS  Google Scholar 

  19. Ilyushin, G.D., Modeling of self-organization processes in crystal-forming systems: Symmetry and topology code for the cluster self-assembly of crystal structures of intermetallic compounds, Russ. J. Inorg. Chem., 2017, vol. 62, pp. 1730–1769.

    Article  CAS  Google Scholar 

  20. 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.

    Article  CAS  Google Scholar 

  21. Ilyushin, G.D., Crystal chemistry of lithium intermetallic compounds: A survey, Russ. J. Inorg. Chem., 2018, vol. 63, no. 14, pp. 1786–1799.

    Google Scholar 

Download references

Funding

This study was supported by the Ministry of Science and Higher Education as part of a state order for the Federal Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences and the Russian Foundation for Basic Research (RFBR no. 19-02-00636).

Author information

Authors and Affiliations

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

    V. Ya. Shevchenko

  2. Samara Center for Theoretical Materials Science, Samara State Technical University, 443100, Samara, Russia

    V. A. Blatov & G. D. Il’yushin

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

    G. D. Il’yushin

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. Il’yushin
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to G. D. Il’yushin.

Ethics declarations

The authors declare that they have no conflict of interest.

Additional information

Translated by D. Marinin

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. & Il’yushin, G.D. Cluster Self-Organization of Intermetallic Systems: K66 and K130 Clusters for the Self-Assembly of the K78In160-hP238 Crystal Structure and K17 Clusters for the Self-Assembly of the K8In11-hR114 Crystal Structure. Glass Phys Chem 47, 13–23 (2021). https://doi.org/10.1134/S1087659621010119

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1087659621010119

Keywords:

Search

Navigation