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Syntheses, crystallographic characterization, and structural relations of Rb[SCN]

  • Alena Shlyaykher , Thomas Pippinger , Thomas Schleid , Olaf Reckeweg and Frank Tambornino EMAIL logo
Published/Copyright: March 21, 2022

Abstract

Colorless rubidium thiocyanate was synthesized by three different approaches. DCS-TGA measurements allowed for extraction of phase transition, melting, and decomposition temperatures. Single-crystal X-ray diffraction showed Rb[SCN] to crystallize in the low-temperature LT-K[SCN] crystal structure type (Pbcm, oP16). Above its phase-transition temperature (432.1 K) the title compound crystallizes with the high-temperature HT-K[SCN] crystal structure type (I4/mcm, tI28) with head-to-tail disordered thiocyanate anions. Both modifications are related to one another and to the LT/HT-Cs[SCN] structure types, and the relation has been studied in detail employing the Bärnighausen formalism. Phase purity and bulk phase transition were confirmed by temperature-dependent PXRD.


Dedicated to Professor Christian Näther on the occasion of his 60th birthday.



Corresponding author: Frank Tambornino, Department of Chemistry and Material Sciences Center, Philipps-Universität Marburg, Hans-Meerwein-Straße, 35043 Marburg, Germany, E-mail:

Funding source: Fonds der Chemischen Industrie

Funding source: DFG

Award Identifier / Grant number: 1357/4-1

Acknowledgments

F.T. thanks Prof. S. Dehnen for excellent support. J. Pfeiffer is gratefully acknowledged for measuring a single crystal dataset of Rb[SCN]. Thanks are also due to A. Schulz (MPI-FKF Stuttgart, Germany) for acquiring the Raman spectrum of Rb[SCN].

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This study received Liebig fellowship from Fonds der Chemischen Industrie and also funded by the DFG (No. 1357/4-1).

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Supplementary Material

The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2022-0015).


Received: 2022-02-23
Accepted: 2022-03-03
Published Online: 2022-03-21
Published in Print: 2022-03-28

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