European Journal of Mineralogy
European Journal of Mineralogy
European Journal of Mineralogy
Articles | Volume 32, issue 5
Articles | Volume 32, issue 5
https://doi.org/10.5194/ejm-32-505-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/ejm-32-505-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 32, issue 5
Research article
 | 
14 Oct 2020
Research article |  | 14 Oct 2020

Low-temperature infrared spectrum and atomic-scale structure of hydrous defects in diopside

Etienne Balan, Lorenzo Paulatto, Jia Liu, and Jannick Ingrin

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Short summary
The atomic-scale geometry of hydrous defects in diopside is still imperfectly known despite their contribution to the Earth's water cycle. Their OH-stretching vibrations lead to a variety of infrared absorption bands. Low-temperature infrared spectroscopy makes it possible to resolve additional bands in the spectra of gem-quality natural samples. Theoretical results obtained at the density functional theory level support the assignment of the observed bands to specific atomic-scale models.
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