Zhang Qianzhen, An Ran, Tudi Abudukadi, Yang Zhihua, Long Xifa, Yang Yun
Research Center for Crystal Materials, CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China.
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China.
Inorg Chem. 2023 Sep 18;62(37):15206-15214. doi: 10.1021/acs.inorgchem.3c02367. Epub 2023 Sep 4.
Through reasonable selections of raw materials and experimental methods, a new rare-earth borate fluoride KSc(BO)F is synthesized successfully by the high-temperature solution method in a closed system, which is the first noncentrosymmetric scandium borate fluoride. It crystallizes in the 2 space group of the orthorhombic crystal system and features an extremely complicated structure constructed by the fundamental building blocks [BO] units, Sc-based, and K-based polyhedra. To our knowledge, KSc(BO)F is the only rare-earth borate that contains two kinds of [BO] groups and crystallizes in the 2 space group, enriching the structural chemistry of rare-earth borates and rare-earth borate fluorides. Additionally, it is discussed in detail how F can significantly improve performance by modifying the modules in a comparison of structures. Discussion on rational synthetic conditions is instructive for obtaining rare-earth borate fluorides. Furthermore, a short cutoff edge (<190 nm) is experimentally confirmed, indicating the potential application of KSc(BO)F in ultraviolet/deep-ultraviolet regions.
通过合理选择原材料和实验方法，采用高温溶液法在封闭体系中成功合成了一种新型稀土硼氟化物KSc(BO)F，它是首例非中心对称的钪硼氟化物。它属于正交晶系的2空间群，具有由基本结构单元[BO]基团、钪基和钾基多面体构建的极其复杂的结构。据我们所知，KSc(BO)F是唯一一种含有两种[BO]基团且结晶于2空间群的稀土硼化物，丰富了稀土硼化物和稀土硼氟化物的结构化学。此外，在结构比较中详细讨论了氟如何通过修饰结构单元显著改善性能。关于合理合成条件的讨论对获得稀土硼氟化物具有指导意义。此外，通过实验证实了其短截止边（<190 nm），表明KSc(BO)F在紫外/深紫外区域具有潜在应用。
