Na₂B₆Si₂: A Prototype Silico-boride with Closo (B₆)^2- Clusters.

ABSTRACT: The compound Na₂B₆Si₂ was synthesized under high-pressure, high-temperature conditions at pressures ranging from 6 to 9.5 GPa and temperatures from 1070 to 1270 K before quenching to room temperature followed by slow decompression. The crystal structure was determined from microcrystals using precession-assisted electron diffraction tomography, validated by dynamical refinement and full-profile refinements using optimized coordinates from quantum chemical calculations (space group R3̅m, Pearson symbol hR30, a = 5.0735(1) Å and c = 16.0004(7) Å). The atomic arrangement consists of a unique framework formed by electron-precise octahedral closo (B₆)^2- clusters connected via ethane-like (Si₂)

SUBMITTER: Carrillo-Cabrera W 

PROVIDER: S-EPMC11403601 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature