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Proton disorder in dehydrated hemimorphite; IR spectroscopy and X-ray structure refinement at low and ambient temperatures

Eugen Libowitzky, Thomas Kohler, Thomas Armbruster and George R. Rossman
Proton disorder in dehydrated hemimorphite; IR spectroscopy and X-ray structure refinement at low and ambient temperatures
European Journal of Mineralogy (August 1997) 9 (4): 803-810

Abstract

Consideration of the polarized IR absorption spectra of dehydrated hemimorphite between 82 and 373 K and refinement of the crystal structure in space group Imm2 for single-crystal data at 110 and 298 K show that the protons of the hydroxide groups are disordered in the structural channels. One is located at the line between two O3 atoms (O3...O3' 2.99-3.02 Aa) thus building up a weak H bond; the corresponding O-H stretching band occurs at approximately 3350 cm (super -1) and is polarized a. Due to proton-proton repulsion, the O-H vector of the other H atom deviates from the O3...O3' line. As a consequence, the corresponding IR stretching vibration is observed at approximately 3600 cm (super -1) and components of this band occur a and c. No low-T phase transition was found, due to the lack of an additional proton acceptor (O5 of the water molecule in hemimorphite) in the dehydrated phase.


ISSN: 0935-1221
Serial Title: European Journal of Mineralogy
Serial Volume: 9
Serial Issue: 4
Title: Proton disorder in dehydrated hemimorphite; IR spectroscopy and X-ray structure refinement at low and ambient temperatures
Affiliation: Universitaet Wien-Geozentrum, Institut fuer Mineralogie und Kristallographie, Vienna, Austria
Pages: 803-810
Published: 199708
Text Language: English
Publisher: Schweizerbart'sche Verlagsbuchhandlung (Naegele u. Obermiller), Stuttgart, Federal Republic of Germany
References: 15
Accession Number: 1997-070805
Categories: Mineralogy of silicates
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: 5 tables
Secondary Affiliation: California Institute of Technology, Pasadena, CA, USA, United StatesUniversitaet Bern, Bern, CHE, Switzerland
Country of Publication: Germany
Secondary Affiliation: GeoRef, Copyright 2017, American Geosciences Institute. Reference includes data from Mineralogical Abstracts, United KingdomTwickenhamUKUnited Kingdom
Update Code: 199723
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