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The impact of boron atoms on clathrate-I silicides: composition range of the borosilicide K8−xBySi46−y

MPS-Authors
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Jung,  Walter
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Böhme,  Bodo
Bodo Böhme, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Hübner,  Julia M.
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Burkhardt,  Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Borrmann,  Horst
Horst Borrmann, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Bobnar,  Matej
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Nguyen,  Hong Duong
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Schwarz,  Ulrich
Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin,  Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Baitinger,  Michael
Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Jung, W., Böhme, B., Hübner, J. M., Burkhardt, U., Borrmann, H., Bobnar, M., et al. (2021). The impact of boron atoms on clathrate-I silicides: composition range of the borosilicide K8−xBySi46−y. Dalton Transactions, 50(4), 1274-1282. doi:10.1039/d0dt03339a.


Cite as: http://hdl.handle.net/21.11116/0000-0008-0A2D-C
Abstract
The clathrate-I borosilicide K8−xBySi46−y(0.8 ≤x≤ 1.2 and 6.4 ≤y≤ 7.2; space groupPm3̄n) was prepared in sealed tantalum ampoules between 900 °C and 1000 °C. By high-pressure preparation at 8 GPa and 1000 °C, a higher boron content is achieved (x= 0.2,y= 7.8). Crystal structure and composition were established from X-ray diffraction data, chemical analysis, WDX spectroscopy, and confirmed by11B and29Si NMR, and magnetic susceptibility measurements. The compositions are electron-balanced according to the Zintl rule within one estimated standard deviation. The lattice parameter varies with composition froma= 9.905 Å for K7.85(2)B7.8(1)Si38.2(1)toa= 9.968(1) Å for K6.80(2)B6.4(5)Si39.6(5) © The Royal Society of Chemistry 2021.