BaLa<sub>4</sub>(SiS<sub>4</sub>)<sub>2</sub>(BS<sub>3</sub>)<sub>2</sub>: StructurallyOrdered Thioborate-ThiosilicateObtained by Adjusting the Cationic Size
Thioborates are of interest as nonlinear optical materials, birefringent materials, and solid-state electrolytes. Under the dilemma that all known thioborate–thiosilates are disordered structures with co-occupied atomic sites, the first structurally ordered thioborate-thiosilicate, BaLa<sub>4</sub>(SiS<sub>4</sub>)<sub>2</sub>(BS<sub>3</sub>)<sub>2</sub>, has been successfully obtained by adjusting the cationic size. It features a novel 3D tunnel network assembled by La–B–S chains and La–Si–S bilayers. In addition, BaLa<sub>4</sub>(SiS<sub>4</sub>)<sub>2</sub>(BS<sub>3</sub>)<sub>2</sub> exhibits good chemical and thermal stability (up to 880 °C), wide light transmission range (0.4–11 μm), wide band gap (3.25 eV), moderate birefringence (0.076 @ 546 nm), and high laser-induced damage threshold (6 × AgGaS<sub>2</sub>). Theoretical calculations showed that the [BS<sub>3</sub>]<sup>3–</sup> functional group is the main contributor to birefringence. This work enriches the structure types of thioborate-thiosilicate and expands insights into mixed anionic thioborates.
Publication Details
- Journal
- Figshare
- Published
- 2025-03-19
- DOI
- https://doi.org/10.1021/acs.inorgchem.5c00083.s001
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.00