Stability of the hydronium cation in the structure of illite

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 the...

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Bibliographic Details
Published in:Clays and clay minerals 2016-08, Vol.64 (4), p.413-424
Main Authors: Escamilla-Roa, Elizabeth, Nieto, Fernando, Sainz-Díaz, C. Ignacio
Format: Article
Language:English
Subjects:
aqueous solutions
Biogeosciences
bonding
cations
chemical reactions
clay minerals
crystal chemistry
crystal structure
DFT
Earth and Environmental Science
Earth Sciences
Geochemistry
hydrogen
Hydrogen Bond
Hydronium
Illite
infrared spectra
Ir Spectroscopy
Medicinal Chemistry
Mineralogy
Nanoscale Science and Technology
Phyllosilicate
sed rocks, sediments
Sedimentary petrology
sheet silicates
silicates
Soil Science & Conservation
spectra
stability
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Summary: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 theoretical-experimental 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.
ISSN:0009-8604
1552-8367
DOI:10.1346/CCMN.2016.0640406