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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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The clathrate-I borosilicide K8-xBySi46-y (0.8 ≤ x ≤ 1.2 and 6.4 ≤ y ≤ 7.2; space group Pm3[combining macron]n) was prepared in sealed tantalum ampoules between 900 °C and 1000… Click to show full abstract

The clathrate-I borosilicide K8-xBySi46-y (0.8 ≤ x ≤ 1.2 and 6.4 ≤ y ≤ 7.2; space group Pm3[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).

Keywords: boron atoms; borosilicide xbysi46; xbysi46; composition; impact boron

Journal Title: Dalton transactions
Year Published: 2021

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