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SrGe2B2O8 和 Sr3Ge2B6O16:具有三维和层状阴离子结构的新型硼锗锶酸盐。

SrGe2B2O8 and Sr3Ge2B6O16: novel strontium borogermanates with three-dimensional and layered anionic architectures.

机构信息

State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , 155 Yangqiao Road West, Fuzhou 350002, P. R. China.

出版信息

Inorg Chem. 2013 Dec 2;52(23):13644-50. doi: 10.1021/ic402214p. Epub 2013 Nov 14.

DOI:10.1021/ic402214p
PMID:24229366
Abstract

Two new alkaline-earth strontium borogermanates, namely, SrGe2B2O8 and Sr3Ge2B6O16, have been successfully synthesized through high-temperature solid state reactions. They represent the first examples of strontium borogermanates. SrGe2B2O8 crystallized in space group Pnma, and its structure features a novel three-dimensional Ge2B2O8 framework composed of alternative linkages of the B2O7 and Ge2O7 dimeric units with one-dimensional (1D) tunnels of eight-membered rings (MRs) along the b axis that are filled by the Sr(2+) cations. Sr3Ge2B6O16 is isostructural with Ba3Ge2B6O16 and crystallizes in centrosymmetric space group P1. Its structure features a two-dimensional layer that is composed of circular B6O16 clusters and GeO4 tetrahedra that are interconnected via corner sharing, forming 1D four- and six-MR tunnels along a axis. Sr(1) cations are located in the six-MR tunnels, whereas Sr(2) cations are located in the interlayer space. Studies of their optical properties and thermal stability as well as band structure calculations based on density functional theory methods have been also performed.

摘要

两种新型的碱土金属锶锗硼酸盐,SrGe2B2O8 和 Sr3Ge2B6O16,通过高温固相反应成功合成。它们代表了锶硼锗酸盐的首例。SrGe2B2O8 属于 Pnma 空间群,其结构具有新颖的三维Ge2B2O8骨架,由 B2O7 和 Ge2O7 二聚体单元的交替连接组成,一维(1D)的八元环(MR)隧道沿 b 轴填充 Sr(2+)阳离子。Sr3Ge2B6O16 与 Ba3Ge2B6O16 同构,属于中心对称空间群 P1。其结构特征为二维层状结构,由圆形 B6O16 簇和 GeO4 四面体通过顶角共享相互连接,形成 1D 的四元和六元 MR 隧道,沿 a 轴延伸。Sr(1)阳离子位于六元 MR 隧道中,而 Sr(2)阳离子位于层间空间。对它们的光学性质和热稳定性以及基于密度泛函理论方法的能带结构计算进行了研究。

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