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Characterization of synthetic hedenbergite (CaFeSi2O6)–petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction

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Abstract

Clinopyroxenes of the solid solution series hedenbergite (CaFeSi2O6)–petedunnite (CaZnSi2O6) were synthesized at temperatures of 825–1200°C and pressures of 0.5–2.5 GPa. Compositions were determined by electron microprobe analysis. Selected crystals were investigated by means of single crystal diffraction and structure refinement and the structural distortion was studied depending on the substitution of iron by zinc on the octahedral M1 site. It is shown that the coordination of the M1 site has the most significant effect on M–O bond lengths, with changes on the other sites accommodating this distortion. The mean quadratic elongation and the octahedral angle variance as quantitative measures of the distortion of the coordination polyhedron were correlated with former results of 57Fe Mössbauer spectroscopy at 298 K. The results presented now complete an earlier work on synthetic, crystalline powders of the same material and deliver exact structural data that were not possible to obtain by Rietveld refinements on powder data.

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Acknowledgements

The authors thank Dr. G. Redhammer, Aachen, for high-pressure synthesis of hedenbergite samples and Dr. Th. Döring for preparing microprobe samples. We thank the Deutsche Forschungsgemeinschaft (DFG) for granting the project under Fe235/5 and Be1088/11 in the priority program “Experimentelle Studien über Elementverteilung.”

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Authors and Affiliations

  1. Institut für Mineralogie, Kristallographie und Materialwissenschaft, Scharnhorststraße 20, 04275, Leipzig, Germany

    Matthias Heuer & Klaus Bente

  2. Department of Earth- and Environmental Sciences, Ludwig-Maximilians University Munich, Theresienstr.41, 80333, Munich, Germany

    Alexandra L. Huber & Karl Thomas Fehr

  3. Department of Earth Sciences, University of Cambridge, Downing Street, CB2 3EQ, Cambridge, UK

    Geoffrey D. Bromiley

Authors
  1. Matthias Heuer
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  2. Alexandra L. Huber
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  3. Geoffrey D. Bromiley
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  4. Karl Thomas Fehr
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  5. Klaus Bente
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Correspondence to Matthias Heuer.

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Heuer, M., Huber, A.L., Bromiley, G.D. et al. Characterization of synthetic hedenbergite (CaFeSi2O6)–petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction. Phys Chem Minerals 32, 552–563 (2005). https://doi.org/10.1007/s00269-005-0025-2

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