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Issue 4, 2021
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The impact of boron atoms on clathrate-I silicides: composition range of the borosilicide K8−xBySi46−y

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Abstract

The clathrate-I borosilicide K8−xBySi46−y (0.8 ≤ x ≤ 1.2 and 6.4 ≤ y ≤ 7.2; space group Pm[3 with combining macron]n) 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 by 11B and 29Si 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 from a = 9.905 Å for K7.85(2)B7.8(1)Si38.2(1) to a = 9.968(1) Å for K6.80(2)B6.4(5)Si39.6(5).

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

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Supplementary files

Article information


Submitted
25 Sep 2020
Accepted
21 Dec 2020
First published
04 Jan 2021

This article is Open Access

Dalton Trans., 2021,50, 1274-1282
Article type
Paper

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

W. Jung, B. Böhme, J. M. Hübner, U. Burkhardt, H. Borrmann, M. Bobnar, H. D. Nguyen, I. Pantenburg, M. Etter, U. Schwarz, Y. Grin and M. Baitinger, Dalton Trans., 2021, 50, 1274
DOI: 10.1039/D0DT03339A

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