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Stability of the Hydronium Cation in the Structure of Illite

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Clays and Clay Minerals

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Abstract

Some aspects of the crystal structure of illite are not understood properly yet, in spite of its abundance and significance as a component of soils, sediments, and low-grade metamorphic rocks. The present study aimed to explore the role of hydronium cations in the interlayer space of illite in a theoreticalexperimental approach in order to clarify previous controversial reports. The infrared spectroscopy of this mineral has been studied experimentally and by means of atomistic calculations at the quantum mechanical level. The tetrahedral charge is critical for the stability of the hydronium cations, the presence of which has probably been underestimated in previous studies. In the present study, computational studies have shown that the hydronium cations in aqueous solutions are likely to be intercalated in the interlayer space of illite, exchanging for K cations. During the drying process these cations are stabilized by hydrogen bonds in the interlayer space of illite.

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Authors and Affiliations

  1. Instituto Andaluz de Ciencias de la Tierra (CSIC-University of Granada), Av. de las Palmeras 4, 18100, Armilla, Granada, Spain

    Elizabeth Escamilla-Roa, Fernando Nieto & C. Ignacio Sainz-Díaz

  2. Departamento de Mineralogía y Petrología, Universidad de Granada, Avenida Fuentenueva, 18002, Granada, Spain

    Fernando Nieto

Authors
  1. Elizabeth Escamilla-Roa
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  2. Fernando Nieto
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  3. C. Ignacio Sainz-Díaz
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Correspondence to C. Ignacio Sainz-Díaz.

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Escamilla-Roa, E., Nieto, F. & Sainz-Díaz, C.I. Stability of the Hydronium Cation in the Structure of Illite. Clays Clay Miner. 64, 413–424 (2016). https://doi.org/10.1346/CCMN.2016.0640406

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  • DOI: https://doi.org/10.1346/CCMN.2016.0640406

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