Universität zu Köln

Gruneberger, Anja Maria, Schmidt, Christian, Jahn, Sandro ORCID: 0000-0002-2137-8833, Rhede, Dieter, Loges, Anselm and Wilke, Max ORCID: 0000-0002-1890-3940 (2016). Interpretation of Raman spectra of the zircon-hafnon solid solution. Eur. J. Mineral., 28 (4). S. 721 - 734. GOTTINGEN: COPERNICUS GESELLSCHAFT MBH. ISSN 1617-4011

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Abstract

Zircon (ZrSiO4), hafnon (HfSiO4) and five intermediate compositions were synthesized from a Pb silicate melt. The resulting crystals were 20-300 mu m in size and displayed sector and growth zoning. Raman spectra were acquired at locations in the sample for which preceding electron microprobe (EMP) analyses revealed sufficient compositional homogeneity. The dataset documents shifts of Raman bands with changing composition. In this study, bands that have previously not been reported were found for the intermediate compositions and for pure hafnon, in particular at wavenumbers less than 200 cm(-1). For these external modes, the dataset provides new insight into the compositional dependence of their frequencies. Density-functional theory calculations support the observations and are used for a detailed interpretation of the spectra. The pitfalls of the EMP analysis along the zircon-hafnon join are highlighted.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Gruneberger, Anja Maria UNSPECIFIED UNSPECIFIED UNSPECIFIED Schmidt, Christian UNSPECIFIED UNSPECIFIED UNSPECIFIED Jahn, Sandro UNSPECIFIED orcid.org/0000-0002-2137-8833 UNSPECIFIED Rhede, Dieter UNSPECIFIED UNSPECIFIED UNSPECIFIED Loges, Anselm UNSPECIFIED UNSPECIFIED UNSPECIFIED Wilke, Max UNSPECIFIED orcid.org/0000-0002-1890-3940 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-256604
DOI:	10.1127/ejm/2016/0028-2551
Journal or Publication Title:	Eur. J. Mineral.
Volume:	28
Number:	4
Page Range:	S. 721 - 734
Date:	2016
Publisher:	COPERNICUS GESELLSCHAFT MBH
Place of Publication:	GOTTINGEN
ISSN:	1617-4011
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language Mineralogy Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/25660