Shi Zhi-Hui, Chi Yang, Yang Mei, Liu Wenlong, Guo Sheng-Ping
School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, Jiangsu 225002, P. R. China.
Inorg Chem. 2020 Mar 16;59(6):3532-3536. doi: 10.1021/acs.inorgchem.0c00086. Epub 2020 Feb 24.
New compounds with multiple anions are receiving increasing interest in view of their diverse structures and physical properties. Here we report four isostructural hexanary RETaMgQBO (RE = Sm, Eu, Gd; Q = S, Se), belonging to the rare chalcogenide borates. Their structures feature an unprecedented [BO] unit comprised of one BO and three BO units. Their 3D structures are constructed by the connection between QRE octahedra and the {[Mg(TaBO)]} polyanionic layer. Density functional theory calculations on the electronic structure and a birefringence of 4 are also performed.
鉴于具有多种阴离子的新型化合物具有多样的结构和物理性质，它们正受到越来越多的关注。在此，我们报道了四种同构的六元稀土钽镁硫（硒）硼酸盐（RE = Sm、Eu、Gd；Q = S、Se），属于罕见的硫属硼酸盐。它们的结构具有一个由一个BO和三个BO单元组成的前所未有的[BO]单元。它们的三维结构是通过QRE八面体与{[Mg(TaBO)]}聚阴离子层之间的连接构建而成的。还进行了关于电子结构的密度泛函理论计算以及4的双折射计算。
