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Cluster self-organization of germanate systems: Suprapolyhedral precursor nanoclusters and self-assembly of CAN-Na8(Al6Ge6O24)Ge(OH)6(H2O)2 and CAN-Cs2Na6(Al6Ge6O24)Ge(OH)6) zeolite crystal structures re]20100419

  • Theoretical Inorganic Chemistry
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Abstract

Geometrical and topological analysis of zeolite crystal structures having a tetrahedral framework of the cancrinite (CAN) type, namely, (CAN) Na8(Al6Ge6O24)Ge(OH)6(H2O)2 (acentric space group P63, hP64, Na-CAN) and Cs2Na6(Al6Ge6O24)Ge(OH)6 (P63, hP52, CsNa-CAN), is carried out with the use of computer techniques (the TOPOS 4.0 program package). An AT 6 hexapolyhedral precursor nanocluster centered with a template cation A (Na, Cs) is identified. The topological type of a two-dimensional (2D) crystalforming T-net 4.6.12, which corresponds to a uninodal semiregular Shubnikov net, is recognized. The full 3D reconstruction of crystal structure self-assembly is performed as follows: precursor nanocluster → primary chain → microlayer → microframework → … framework. The symmetry of an AT6 precursor nanocluster is described by point group 3; the symmetry axis passes through the center of the nanocluster and cation A. The coordination number (CN) of a precursor nanocluster, which characterizes the nanocluster stacking in the macrostructure, is six. In both structures, six Na atoms and a Ge(OH)6 polyhedral species are spacers filling the voids between AT 6 precursor nanoclusters. The Ge(OH)6 polyhedral species is characterized by four and two orientationally allowed positions in Na-CAN and CsNa-CAN, respectively. The minimal number of suprapolyhedral AT 6 precursor nanoclusters required for the 3D microframework to form is 16; that is, 96 tetrahedra are involved in microframework self-assembly.

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Authors and Affiliations

  1. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskii pr. 59, Moscow, 119991, Russia

    G. D. Ilyushin & L. N. Dem’yanets

  2. Samara State University, Samara, Russia

    V. A. Blatov

Authors
  1. G. D. Ilyushin
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  2. V. A. Blatov
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  3. L. N. Dem’yanets
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Correspondence to G. D. Ilyushin.

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Original Russian Text © G.D. Ilyushin, V.A. Blatov, L.N. Dem’yanets, 2011, published in Zhurnal Neorganicheskoi Khimii, 2011, Vol. 56, No. 10, pp. 1651–1657.

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Ilyushin, G.D., Blatov, V.A. & Dem’yanets, L.N. Cluster self-organization of germanate systems: Suprapolyhedral precursor nanoclusters and self-assembly of CAN-Na8(Al6Ge6O24)Ge(OH)6(H2O)2 and CAN-Cs2Na6(Al6Ge6O24)Ge(OH)6) zeolite crystal structures re]20100419. Russ. J. Inorg. Chem. 56, 1572–1578 (2011). https://doi.org/10.1134/S0036023611100111

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  • DOI: https://doi.org/10.1134/S0036023611100111

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