Tang Ru-Ling, Lian Xin, Yao Wen-Dong, Liu Wenlong, Guo Sheng-Ping
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, P. R. China.
Dalton Trans. 2021 Nov 23;50(45):16562-16567. doi: 10.1039/d1dt03320d.
Metal halides have potential applications in many optics-related fields, such as birefringence materials. Here, a pentanary fluoride KNa(TaF)(SiF) has been obtained through a facile hydrothermal route. It crystallizes in the orthorhombic space group , and its zero-dimensional framework features isolated SiF octahedra and TaF monocapped trigonal prisms, a new type of combination representing a new structure-type. It exhibits two wide optical band gaps of 4.46 eV and 5.67 eV which is consistent with DFT calculation. KNa(TaF)(SiF) exhibits a larger birefringence (0.045 at 253.7 nm) compared with the commercial MgF crystal.
金属卤化物在许多与光学相关的领域具有潜在应用，例如双折射材料。在此，通过简便的水热路线获得了一种五元氟化物KNa(TaF)(SiF)。它结晶于正交空间群，其零维骨架具有孤立的SiF八面体和TaF单帽三角棱柱，这种新型组合代表了一种新的结构类型。它表现出4.46 eV和5.67 eV的两个宽光学带隙，这与密度泛函理论计算结果一致。与商用MgF晶体相比，KNa(TaF)(SiF)表现出更大的双折射（在253.7 nm处为0.045）。
