European Journal of Mineralogy
European Journal of Mineralogy
European Journal of Mineralogy
Articles | Volume 33, issue 2
Articles | Volume 33, issue 2
https://doi.org/10.5194/ejm-33-209-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/ejm-33-209-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 33, issue 2
Research article
 | 
23 Apr 2021
Research article |  | 23 Apr 2021

Local mode interpretation of the OH overtone spectrum of 1:1 phyllosilicates

Etienne Balan, Emmanuel Fritsch, Farid Juillot, Thierry Allard, and Sabine Petit

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Cited articles

Balan, E., Allard, T., Boizot, B., Morin, G., and Muller, J.-P.: Structural FE3+ in natural kaolinites: New insights from electron paramagnetic resonance spectra fitting at X and Q-band frequencies, Clays Clay Mineral., 47, 605–616, https://doi.org/10.1346/CCMN.1999.0470507, 1999. 
Balan, E., Saitta, A. M., Mauri, F., and Calas, G.: First-principles modeling of the infrared spectrum of kaolinite, Am. Mineral., 86, 1321–1330, https://doi.org/10.2138/am-2001-11-1201, 2001. 
Balan, E., Allard, T., Morin, G., and Calas, G.: Incorporation of Cr3+ in dickite: a spectroscopic study, Phys. Chem. Miner., 4, 273–279, https://doi.org/10.1007/s00269-001-0231-5, 2002a. 
Balan, E., Saitta, A. M., Mauri, F., Lemaire, C., and Guyot, F.: First-principles calculation of the infrared spectrum of lizardite, Am. Mineral., 87, 1286–1290, https://doi.org/10.2138/am-2002-1003, 2002b. 
Balan, E., Lazzeri, M., Saitta, A. M., Allard, T., Fuchs, Y., and Mauri, F.: First-principles study of OH stretching modes in kaolinite, dickite and nacrite, Am. Mineral., 90, 50–60, https://doi.org/10.2138/am.2005.1675, 2005. 
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Short summary
The OH overtone bands of kaolinite- and serpentine-group minerals observed in their near-infrared (NIR) spectra are widely used but their relation to stretching modes involving coupled OH groups is uncertain. Here, we map a molecular model of harmonically coupled anharmonic oscillators on the spectroscopic properties of 1:1 phyllosilicates. This makes it possible to interpret most of the observed bands and support the assignment of some of them to cationic substitutions in serpentines.
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