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Where are genes in paulingite? Mathematical principles of formation of inorganic materials on the atomic level

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Abstract

By means of the concept of universal optimum and general principles of inorganic gene, structures of paulingite-related zeolites and minerals have been constructed. The structures of zeolite Rho and paulingite are considered as members of zeolite family generated by the work of 4-colored cellular automaton (CA). The ideal symmetry of the members of the family is cubic, space group \(Im \bar 3m\), a = 15 + 10n [Å], where n is a number of the CA cycle (n = 0 for zeolite Rho and 2 for paulingite). A new hypothetical zeolite of the family with n = 1 is predicted and named ISC-1 (Institute of Silicate Chemistry-1); atomic coordinates and theoretical X-ray powder diffraction pattern have been calculated. It appears to be very probable that universal optimum contains all necessary information for its material realization (sharp configurations) and construction of materials with certain type of interaction potential (even with restrictions existing in theory for this potential).

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Notes

  1. We have chosen paulingite because the question ‘Where are genes in paulingite?’ had been asked first in the paper of A.L. Mackay "Generalised crystallography" Journal of Molecular Structure (Teochem) 336 (1995) 293–303.

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Authors and Affiliations

  1. Institute of Silicate Chemistry, Russian Academy of Sciences, Nab. Makarova, 2, 199034, St. Petersburg, Russia

    V. Ya. Shevchenko & S. V. Krivovichev

  2. Department of Crystallography, St. Petersburg State University, University Emb. 7/9, 199034, St. Petersburg, Russia

    S. V. Krivovichev

Authors
  1. V. Ya. Shevchenko
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  2. S. V. Krivovichev
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Correspondence to V. Ya. Shevchenko.

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Shevchenko, V.Y., Krivovichev, S.V. Where are genes in paulingite? Mathematical principles of formation of inorganic materials on the atomic level. Struct Chem 19, 571–577 (2008). https://doi.org/10.1007/s11224-008-9327-6

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  • DOI: https://doi.org/10.1007/s11224-008-9327-6

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