Abstract
The combinatorial-topological analysis and simulation of the self-assembly of the Na32Au44In24–oP100 (space group P bcm, a = 5.483 Å, b = 24.519 Å, c = 14.573 Å, V = 1895 Å3) crystal structure are conducted by the computer-based methods (TOPOS program package). A new type of the 12-atom K12 cluster formed from doubled pentagonal pyramids—AuAu5 and InNa5—is established. The maximal symmetry of the K12 cluster and the primary chain of translationally bound K12 clusters correspond to the noncrystallographic 5m symmetry. The symmetry and topological codes of the Na32Au44In24–oP100 3D structure’s self-assembly processes from the K12 nanocluster precursors are reconstructed in the following form: primary chain → microlayer → micro-framework. The primary chains of bound K12 clusters with the m symmetry are located in the direction [100], and the distance between cluster centers determines the vector’s value: a = 5.483 Å. There are four nonparallel primary chains in the primary chain’s local environment. The chains from InAu atoms and NaAu2In2 clusters are located in the 2D layer between the primary chains. The distance between the equivalent chains in the direction [001] determined the vector’s value: c = 14.573 Å. In the 3D framework in the direction [010], the distance between the equivalent 2D layers determined the vector’s value: b = 24.519 Å.
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REFERENCES
Inorganic Crystal Structure Database ICSD, Karlsruhe: Fachinformationszentrum Karlsruhe, USA: Natl. Inst. Standard Technol.
Villars, P. and Cenzual, K., Pearson’s Crystal Data-Crystal Structure Database for Inorganic Compounds (PCDIC), ASM Int.: Materials Park, OH.
Zachwieja, U. and Mueller, J., Na4AuTl, die erste ternaere Verbindung im System Natrium/Gold/Thallium, Zeitschr. Anorg. Allgem. Chem., 1997, vol. 623, pp. 1621–1624.
Pearson, W.B., The Crystal Chemistry and Physics of Metals and Alloys, New York, USA: Wiley-Interscience,1972.
Kripyakevich, P.I., Strukturnye tipy intermetallicheskikh soedinenii (Structural Types of Intermetallic Compounds), Moscow: Nauka, 1977.
Wells, A.F., Structural Inorganic Chemistry, 5th ed., London: Oxford Univ. Press, 1984.
Dshemuchadse, J. and Steurer, W., Some statistics on intermetallic compounds, Inorg. Chem., 2015, vol. 54, pp. 1120–1128.
Dshemuchadse, J. and Steurer, W., More statistics on intermetallic compounds—ternary phases, Acta Crystallogr., A, 2015, vol. 71, pp. 335–345.
Steurer, W. and Dshemuchadse, J., Intermetallics: Structures, Properties, and Statistics, Oxford: Oxford Univ. Press, Int. Union Crystallogr. Monographs on Crystallogr., 2016.
Zachwieja, U., Na8Au11In6; ein Gold-Indium-Polyedergerst mit pentagonal-dipyramidalen Au Au5 In-Baueinheiten, Zeitschr. Anorg. Allgem. Chem., 1996, vol. 622, pp. 1581–1586.
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/.
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. 670–683.
Ilyushin, G.D., Symmetry and topology code of the cluster self-assembly of intermetallic compounds A16 2 B12 4 of the friauf families Mg2Cu4 and Mg2Zn4, Crystallogr. Rep., 2018, vol. 63, pp. 543–552.
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.
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. 13 094–13 107.
Ilyushin, G.D., Modelirovanie protsessov samoorganizatsii v kristalloobrazuyushchikh sistemakh (Modeling of Self-Organization Processes in Crystal-Forming Systems), Moscow: Editorial URSS, 2003.
Shevchenko, V.Ya., Blatov, V.A., and Ilyushin, G.D., Symmetry and topology codes of cluster self-assembly for icosahedral structures of the NaZn13-cF112 and TRB66-cF1944 family, Glass Phys. Chem., 2015, vol. 41, no. 4, pp. 341–351.
Li, B. and Corbett, J.D., Electronic stabilization effects: Three new K-In-T (T = Mg, Au, Zn) network compounds, Inorg. Chem., 2006, vol. 45, no. 22, pp. 8958–8964.
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The present research was performed with the support of the Russian Foundation for Basic Research (project no. 19-02-00636) and Ministry of Science and Higher Education of the Russian Federation as part of the state order of the Federal Research Centre of Crystallography and Photonics, Russian Academy of Sciences.
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Translated by D. Marinin
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Shevchenko, V.Y., Blatov, V.A. & Il’yushin, G.D. Cluster Self-Organization of Intermetallic Systems. New Cluster Presursor (InNa5)(AuAu5) and Primary Chain with the 5m Symmetry for the Self-Assembly of the Na32Au44In24–oP100 Crystal Structure. Glass Phys Chem 45, 245–250 (2019). https://doi.org/10.1134/S1087659619040114
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DOI: https://doi.org/10.1134/S1087659619040114