Synthesis, structural and spectroscopic investigations of dolomite-type MSn(BO3)2 with M = Mn, Fe, Co and Ni

Sarah Wittmann; M. Mangir Murshed; Vitaliy Bilovol; Thorsten M. Gesing

doi:10.1515/zkri-2023-0002

Published by De Gruyter (O) March 27, 2023

Synthesis, structural and spectroscopic investigations of dolomite-type MSn(BO₃)₂ with M = Mn, Fe, Co and Ni

Sarah Wittmann , M. Mangir Murshed , Vitaliy Bilovol and Thorsten M. Gesing

From the journal Zeitschrift für Kristallographie - Crystalline Materials

https://doi.org/10.1515/zkri-2023-0002

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Abstract

Dolomite-type MSn(BO₃)₂ phases for M = Mn, Fe, Co and Ni have been synthesized using solid-state synthesis carried out in sealed quartz tubes. X-ray powder diffraction data Rietveld refinements confirm the rhombohedral space group R 3 ‾ for all compositions. The change in unit-cell parameters follows the increasing nature of the radius of the M-cations. Both the MO₆ and SnO₆ octahedra are found to be quite regular. ¹¹⁹Sn Mössbauer spectroscopy investigations complement the almost undistorted nature of the SnO₆ octahedra and the tetra-valent charge of the tin-atoms. Detailed vibrational features are described from the Raman and the FTIR spectral data collected at ambient conditions. The frequency shifts of some selective Raman and IR bands are explained in terms of the change of cationic sizes and the respective M–O bond distances. The UV/Vis diffuse reflectance data are analyzed using the RATD method, leading to direct bandgaps for all the investigated samples. The wide bandgap semiconductors (3 – 4 eV) show increasing transition energies with increasing cation sizes of the high-spin M-cations in the dolomite types.

Keywords: bandgap; crystal structure; dolomite; 119Sn Mössbauer; vibrational property

Corresponding author: M. Mangir Murshed, Institute of Inorganic Chemistry and Crystallography, University of Bremen, Leobener Straße 7, D-28359 Bremen, Germany; and MAPEX Center for Materials and Processes, University of Bremen, Bibliothekstraße 1, D-28359 Bremen, Germany, E-mail: murshed@uni-bremen.de

Current address: Vitaliy Bilovol, Academic Centre for Materials and Nanotechnology, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Krakow, Poland

Funding source: German Science Foundation (Deutsche Forschungsgemeinschaft, DFG)

Award Identifier / Grant number: GE1981/14-1, INST144/435-1FUGG, and INST144/458-1FUGG

Acknowledgements

We gratefully thank the German Science Foundation (Deutsche Forschungsgemeinschaft, DFG) under grant number GE1981/14-1 for the financial support and for large instrument support within grant INST144/435-1FUGG and INST144/458-1FUGG. The University of Bremen is cordially acknowledged for the technical and administrative supports. V.B. is highly thankful to INTECIN (CONICET) for the partial financial supports. The Universidad de Buenos Aires (UBACyT 20020190200037BA) is also acknowledged.

Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: This work was funded by the German Science Foundation (Deutsche Forschungsgemeinschaft, DFG) under grant number GE1981/14-1 for the financial support and for large instrument support within grant INST144/435-1FUGG and INST144/458-1FUGG.
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Supplementary Material

This article contains supplementary material (https://doi.org/10.1515/zkri-2023-0002).

Received: 2023-01-06

Accepted: 2023-03-08

Published Online: 2023-03-27

Published in Print: 2023-05-25