European Journal of Mineralogy
European Journal of Mineralogy
European Journal of Mineralogy
Articles | Volume 35, issue 5
Articles | Volume 35, issue 5
https://doi.org/10.5194/ejm-35-873-2023
© Author(s) 2023. This work is distributed under
the Creative Commons Attribution 4.0 License.
Special issue:
https://doi.org/10.5194/ejm-35-873-2023
© Author(s) 2023. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 35, issue 5
Research article
 | 
19 Oct 2023
Research article |  | 19 Oct 2023

Vibrational properties of OH groups associated with divalent cations in corundum (α-Al2O3)

Michael C. Jollands, Shiyun Jin, Martial Curti, Maxime Guillaumet, Keevin Béneut, Paola Giura, and Etienne Balan

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Latest update: 13 Dec 2024
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Short summary
The infrared spectrum of hydrous defects in corundum is routinely used in gemology, but the assignment of absorption bands to specific defects remains elusive. Here, we theoretically study selected defects and compare the results with available experimental data. The main results are the assignment of the 3161 cm−1 series to OH groups associated with Fe2+ ions and the interpretation of bands below 2700 cm−1 in corundum containing divalent cations in terms of overtones of OH bending modes.
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