Skip to main content
SpringerLink
Log in

Structural Chemistry of Intermetallic Compounds: Geometric and Topological Analysis; Cluster Precursors K4, K6, and K21; and Self-Assembly of Crystal Structure S2Hg2-aP8, Cs2Hg4-oI12, and Cs10Hg38-tI48

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

Abstract

Using computer methods (ToposPro software package), a geometric and topological analysis is carried out and the self-assembly of the crystal structures of Cs intermetallic compounds 2Hg2-aP8, Cs2Hg4-oI12, and Cs10Hg38-tI48 is simulated. Metal clusters-precursors of crystalline structures are determined using an algorithm for decomposing structural graphs into cluster structures and by constructing a basic grid of the structure in the form of a graph whose nodes correspond to the position of the centers of clusters-precursor \(S_{3}^{0}.\) Tetrahedral metal clusters K4 are established in Cs2Hg2-cI2; octahedral metal clusters K6, in Cs2Hg4; and a new type of polyhedral metal cluster K21 = Cs@Cs4Hg16, in Cs10Hg38-tI48. The symmetry and topological code of the processes of self-assembly of crystal structures of intermetallic compounds CsnHgk from precursors S30 is reconstructedin the form chain \(S_{3}^{1}\) → microlayer \(S_{3}^{2}\) → microframework \(S_{3}^{3}.\)

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.

Similar content being viewed by others

REFERENCES

  1. Inorganic Crystal Structure Database ICSD.

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

  3. Duwell, E.J. and Baenziger, N.C., The crystal structures of KHg and KHg2, Acta Crystallogr., 1955, vol. 8, pp. 705–710.

    Article  CAS  Google Scholar 

  4. Deiseroth, H.J., Strunck, A., and Bauhofer, W., RbHg2 und CsHg2, Darstellung, Kristallstruktur, elektrische Leitfaehigkeit, Z. Anorg. Allgem. Chem., 1988, vol. 558, pp. 128–136.

    Article  CAS  Google Scholar 

  5. Deiseroth, H.J. and Strunck, A., Quadratische Hg4-cluster in der Verbindung CsHg, Angew. Chem., 1987, vol. 99, pp. 701–702.

    Article  CAS  Google Scholar 

  6. Deiseroth, H.J., Strunck, A., and Bauhofer, W., CsHg, eine ungewoehnliche Variante der CsCl-Struktur. Darstellung, Kristallstruktur und physikalische Eigenschaften, Z. Anorg. Allgem. Chem., 1989, vol. 575, pp. 31–38.

    Article  CAS  Google Scholar 

  7. Biehl, K. and Deiseroth, H.J., K2Hg7 und Rb2Hg7, zwei Vertreter eines neuen Strukturtyps binaerer intermetallischer Verbindungen, Z. Anorg. Allgem. Chem., 1999, vol. 625, pp. 1337–1342.

    Article  CAS  Google Scholar 

  8. Biehl, E. and Deiseroth, H.J., Eine neue, geordnete Defektvariante des BaAl4-Strukturtyps, Z. Anorg. Allgem. Chem., 1999, vol. 625, pp. 389–394.

    Article  CAS  Google Scholar 

  9. Todorov, E. and Sevov, S.C., Synthesis and structure of the alkali metal amalgams A3Hg20 (A = Rb, Cs), K3Hg11, Cs5Hg19, and A7Hg31 (A = K, Rb), J. Solid-State Chem., 2000, vol. 149, pp. 419–427.

    Article  CAS  Google Scholar 

  10. Biehl, E. and Deiseroth, H.J., Darstellung, Strukturchemie und Magnetismus der Amalgame MHg11 (M: K, Rb, Ba, Sr), Z. Anorg. Allgem. Chem., 1999, vol. 625, pp. 1073–1080.

    Article  CAS  Google Scholar 

  11. Deiseroth, H.J. and Strunck, A., Hg8-cluster ('mercuban') in Rb15 Hg16, Angew. Chem., 1989, vol. 101, pp. 1286–1287.

    Article  CAS  Google Scholar 

  12. Duwell, E.J. and Baenziger, N.C., The crystal structure of K5Hg7, Acta Crystallogr., 1960, vol. 13, pp. 476–479.

    Article  CAS  Google Scholar 

  13. Tambornino, F. and Hoch, C., Bad metal behaviour in the new Hg-rich amalgam KHg6 with polar metallic bonding, J. Alloys Compd., 2015, vol. 618, pp. 299–304.

    Article  CAS  Google Scholar 

  14. Hoch, C. and Simon, A., Cs2 Hg27, the mercury-richest amalgam with close relationship to the Bergman phases, Z. Anorg. Allgem. Chem., 2008, vol. 634, pp. 853–856.

    Article  CAS  Google Scholar 

  15. 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.

    Article  CAS  Google Scholar 

  16. 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, no. 4, pp. 1811–1818.

    Article  CAS  Google Scholar 

  17. 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 

  18. Shevchenko, V.Ya., Medrish, I.V., Ilyushin, G.D., and Blatov, V.A., From clusters to crystals: Scale chemistry of intermetallics, Struct. Chem., 2019, vol. 30, no. 6, pp. 2015–2027.

    Article  CAS  Google Scholar 

  19. Ilyushin, G.D., Intermetallic compounds KnMm (M = Ag, Au, As, Sb, Bi, Ge, Sn, Pb): Geometrical and topological analysis, cluster precursors, and self-assembly of crystal structures, Crystallogr. Rep., 2020, vol. 65, no. 7, pp. 1095–1105.

    Article  CAS  Google Scholar 

  20. Ilyushin, G.D., Intermetallic compounds NakMn (M = K, Cs, Ba, Ag, Pt, Au, Zn, Bi, Sb): Geometrical and topological analysis, cluster precursors, and self-assembly of crystal structures, Crystallogr. Rep., 2020, vol. 65, no. 4, pp. 539–545.

    Article  CAS  Google Scholar 

Download references

Funding

The analysis of the self-assembly of crystalline structures of intermetallic compounds was supported by the Ministry of Education and Science of the Russian Federation as part of a state task of the Federal Research Center “Crystallography and Photonics” of the Russian Academy of Sciences, nanocluster analysis was performed with the support of the Russian Science Foundation as part of project nos. 20-13-00054 and 21-73-30019, and the topological analysis was carried out with the support of the Ministry of Education and Science of the Russian Federation as part of state task no. 0778-2020-0005.

Author information

Authors and Affiliations

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

    V. Ya. Shevchenko

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

    V. A. Blatov

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

Ethics declarations

The authors declare that they have no conflicts of interest.

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. Structural Chemistry of Intermetallic Compounds: Geometric and Topological Analysis; Cluster Precursors K4, K6, and K21; and Self-Assembly of Crystal Structure S2Hg2-aP8, Cs2Hg4-oI12, and Cs10Hg38-tI48. Glass Phys Chem 48, 155–162 (2022). https://doi.org/10.1134/S1087659622030099

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1087659622030099

Keywords:

Search

Navigation