Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia
- Author(s)
- Jana Fridrichová, Peter Bačík, Valéria Bizovská, Eugen Libowitzky, Radek Skoda, Pavel Uher, Daniel Ozdín, Martin Števko
- Abstract
Nine beryl samples from Western Carpathians, Slovakia, were investigated by infrared and Raman spectroscopy and differential thermal analysis. Two types of water H
2O I and H
2O II were detected. Infrared spectroscopy proved the presence of water type I and II in the presence of alkali cations with several bands: (1) symmetric stretching vibration—ν
1; (2) antisymmetric stretching mode—ν
3; (3) bending vibration—ν
2. The presence of singly and doubly coordinated type II water (IIs and IId) was confirmed by single-crystal IR spectroscopy. From Raman spectra a band at 3606 cm
−1 was assigned to ν
1 of water type I and the range of 3597–3600 cm
−1 to water type II. The presence of doubly coordinating water indicates a relatively highly hydrated environment with the presence of alkali ions including Na as the dominant cation coordinated by H
2O II. CO
2 bands were detected only by single-crystal IR spectroscopy. Thermal analysis proved total water loss in the range of 1.4–2.0 wt% and three main dehydration events. Based on the study of bond-topological arrangements two molecules of H
2O IId are each bound with two H···O1 bonds and one Na–O
W bond with an angular distortion, and by releasing one H
2O molecule more stable H
2O IIs is produced. The H
2O I molecule is bound only by two equivalent hydrogen bonds. The H
2O IIs molecule with a Na–O
W bond strength of 0.28 vu and two H···O1 bonds of 0.14 vu without any forced angular distortion is the most stable of all.
- Organisation(s)
- Department of Mineralogy and Crystallography
- External organisation(s)
- Comenius University Bratislava, Slovak Academy of Sciences (SAS), Masaryk University
- Journal
- Physics and Chemistry of Minerals
- Volume
- 43
- Pages
- 419-437
- No. of pages
- 19
- ISSN
- 0342-1791
- DOI
- https://doi.org/10.1007/s00269-016-0806-9
- Publication date
- 03-2016
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104026 Spectroscopy, 105116 Mineralogy
- Keywords
- ASJC Scopus subject areas
- Geochemistry and Petrology, Materials Science(all)
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/spectroscopic-and-bondtopological-investigation-of-interstitial-volatiles-in-beryl-from-slovakia(04fec5a4-0044-4c09-874a-400bd3d64bf9).html