TY  - JOUR
A1  - Grüneberger, Anja Maria
A1  - Schmidt, Christian
A1  - Jahn, Sandro
A1  - Rhede, Dieter
A1  - Loges, Anselm
A1  - Wilke, Max
T1  - Interpretation of Raman spectra of the zircon-hafnon solid solution
JF  - European journal of mineralogy
N2  - 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.
KW  - zircon
KW  - hafnon
KW  - solid solution
KW  - Raman spectroscopy
KW  - synthesis
KW  - density-functional theory
KW  - hafnium analysis
Y1  - 2016
U6  - https://doi.org/10.1127/ejm/2016/0028-2551
SN  - 0935-1221
SN  - 1617-4011
VL  - 28
SP  - 721
EP  - 733
PB  - Schweizerbart
CY  - Stuttgart
ER  -