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Traces of structural H2O molecules in baryte

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Abstract

The infrared (IR) spectra of gem-quality baryte crystals from different occurrences are characterized by relatively weak but strongly pleochroic absorption bands at 3,280, 3,220, 3,155, and 3,115 cm−1. These bands are assigned to anti-symmetric and symmetric OH stretching vibrations of two types of H2O molecules localized on vacant Ba sites. The H–H axis of the H2O I molecule is slightly tilted from the a-axis direction, its twofold axis being nearly parallel to the b-axis, thus defining the plane of the H2O molecule practically parallel to (001). The H2O II molecule has its H–H axis parallel to the b-axis direction, with its plane lying approximately parallel to (101). The values of the total water contents of the baryte crystals, calculated on the basis of IR spectroscopic data, are ranging from about 1.7–3.8 wt.ppm. The possible presence of H3O+ ions is also discussed.

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Acknowledgments

Thanks are due to A. Wagner for careful sample preparation and to E. Libowitzky, H. Pristacz and H. Rager for kindly providing sample material. We wish to thank R. Skoda for carrying out the EMS analyses. D.T. gratefully acknowledges the award of a scholarship by the Austrian Federal Ministry of Science and Research within the frame of the Austrian Exchange Service (ÖAD), Academic Mobility Unit ACM-2008-00061. This work was also partly supported by the grant MSM 0021622410 of the Czech Ministry of Education, Youth and Sports. Constructive reviews were kindly provided by Monika Koch-Müller and Henrik Skogby.

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Authors and Affiliations

  1. Institut für Mineralogie und Kristallographie, Universität Wien-Geozentrum, Althanstrasse 14, 1090, Wien, Austria

    Anton Beran & Dominik Talla

  2. Department of Geological Sciences, Masaryk University, Kotlarska 2, 61137, Brno, Czech Republic

    Dominik Talla & Zdenek Losos

  3. Department of Chemistry, Masaryk University, Kotlarska 2, 61137, Brno, Czech Republic

    Jiri Pinkas

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  1. Anton Beran
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Correspondence to Dominik Talla.

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Beran, A., Talla, D., Losos, Z. et al. Traces of structural H2O molecules in baryte. Phys Chem Minerals 37, 159–166 (2010). https://doi.org/10.1007/s00269-009-0320-4

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