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A Borosilicide with Clathrate VIII Structure

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The high-pressure phase Na8BxSi46–x (3 < x < 5) is the first representative of a borosilicide crystallizing in the rarely occurring clathrate VIII type structure. Crystals with composition Na8B4Si42 (space… Click to show full abstract

The high-pressure phase Na8BxSi46–x (3 < x < 5) is the first representative of a borosilicide crystallizing in the rarely occurring clathrate VIII type structure. Crystals with composition Na8B4Si42 (space group I43̅m; a = 9.7187(2) Å; Pearson symbol cI54) were obtained at 5–8 GPa and 1200 K. The clathrate I modification exists for the same composition at lower pressure with a larger cell volume (Pm3̅n; a = 9. 977(2) Å; cP54). Profound structural adaptions allow for a higher density of the clathrate VIII type than clathrate I, opening up the perspective of obtaining clathrate VIII type compounds as high-pressure forms of clathrate I.

Keywords: clathrate viii; structure; borosilicide; viii type; clathrate

Journal Title: Journal of the American Chemical Society
Year Published: 2022

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