European Journal of Mineralogy
European Journal of Mineralogy
European Journal of Mineralogy
Articles | Volume 33, issue 4
Articles | Volume 33, issue 4
https://doi.org/10.5194/ejm-33-389-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/ejm-33-389-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 33, issue 4
Research article
 | 
19 Jul 2021
Research article |  | 19 Jul 2021

First-principles modeling of the infrared spectrum of antigorite

Etienne Balan, Emmanuel Fritsch, Guillaume Radtke, Lorenzo Paulatto, Farid Juillot, and Sabine Petit

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Latest update: 12 Nov 2024
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Short summary
The infrared absorption spectrum of an antigorite sample, an important serpentine-group mineral, is compared to its theoretical counterpart computed at the density functional level. The model reproduces most of the observed bands, supporting their assignment to specific vibrational modes. The results provide robust interpretations of the significant differences observed between the antigorite spectrum and that of lizardite, the more symmetric serpentine variety.
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