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A Borosilicide with Clathrate VIII Structure.

Julia-Maria Hübner^1,2, Wilder Carrillo-Cabrera², Primoz Kozelj²

¹Department of Chemistry, Centre for Analysis and Synthesis, Naturvetarvägen 14, 221 00 Lund, Sweden.

Journal of the American Chemical Society

|July 25, 2022

Summary

This summary is machine-generated.

Researchers discovered a new high-pressure borosilicide material with a rare clathrate VIII structure. This dense structure differs from the lower-pressure clathrate I, offering insights into high-pressure material formation.

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Area of Science:

Solid-state chemistry
Materials science
Crystallography

Background:

Borosilicide compounds exhibit diverse crystal structures.
Clathrate structures are known for their cage-like frameworks.
High pressure can induce novel structural phases in materials.

Purpose of the Study:

To synthesize and characterize a novel high-pressure borosilicide phase.
To investigate the structural differences between high-pressure and low-pressure clathrate forms.
To explore the potential of clathrate VIII as a high-pressure polymorph.

Main Methods:

High-pressure synthesis at 5-8 GPa and 1200 K.
Single-crystal X-ray diffraction for structural determination.
Comparison of crystallographic data for clathrate I and VIII structures.

Main Results:

The first borosilicide with the clathrate VIII structure, Na8B4Si42, was synthesized.
Clathrate VIII exhibits a higher density and smaller cell volume compared to clathrate I.
The space group and lattice parameters for the clathrate VIII phase were determined.

Conclusions:

The clathrate VIII type structure represents a denser packing arrangement than clathrate I.
High pressure drives the formation of the compact clathrate VIII structure in this borosilicide.
This work opens avenues for discovering other clathrate VIII compounds as high-pressure phases.