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BaLa4(SiS4)2(BS3)2: Structurally Ordered Thioborate-Thiosilicate Obtained by Adjusting the Cationic Size
Ya-Xiang Han1,2, Ming-Zhi Zhang1,2, Chun-Li Hu1
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, P. R. China.
Inorganic Chemistry
|March 19, 2025
Summary
Researchers developed the first ordered thioborate-thiosilicate, BaLa4(SiS4)2(BS3)2, overcoming structural disorder. This new material shows promise for optical applications due to its stability and optical properties.
Area of Science:
- Solid-state chemistry
- Materials science
- Inorganic chemistry
Background:
- Thioborates are valuable for nonlinear optics, birefringence, and electrolytes.
- Known thioborate-thiosilicates possess disordered structures with co-occupied atomic sites.
Purpose of the Study:
- To synthesize the first structurally ordered thioborate-thiosilicate.
- To investigate the structural, thermal, optical, and laser-induced damage properties of the new compound.
Main Methods:
- Cationic size adjustment for synthesis.
- Structural characterization of the novel compound.
- Evaluation of thermal stability, optical transmission, band gap, birefringence, and laser-induced damage threshold.
- Theoretical calculations to understand birefringence contributions.
Main Results:
- Successfully synthesized the first ordered thioborate-thiosilicate, BaLa4(SiS4)2(BS3)2.
- The material features a novel 3D tunnel network.
- Exhibits excellent chemical and thermal stability (up to 880 °C), a wide transmission range (0.4-11 μm), a wide band gap (3.25 eV), moderate birefringence (0.076 @ 546 nm), and a high laser-induced damage threshold.
- Theoretical calculations identified the [BS3]3- group as the primary source of birefringence.
Conclusions:
- This work establishes a new class of ordered thioborate-thiosilicates.
- The findings expand the structural diversity of mixed anionic thioborates.
- BaLa4(SiS4)2(BS3)2 demonstrates significant potential for applications in nonlinear optics and solid-state electrolytes.
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