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首页> 外文期刊>Chemistry: A European journal >HP-CsB5O8: Synthesis and Characterization of an Outstanding Borate Exhibiting the Simultaneous Linkage of All Structural Units of Borates
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HP-CsB5O8: Synthesis and Characterization of an Outstanding Borate Exhibiting the Simultaneous Linkage of All Structural Units of Borates

机译：HP-CsB5O8：硼酸盐所有结构单元同时连接的杰出硼酸盐的合成与表征

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摘要

The new cesium pentaborate HP-CsB5O8 is synthesized under high-pressure/ high-temperature conditions of 6 GPa and 900 degrees C in a Walker-type multianvil apparatus. The compound crystallizes in the orthorhombic space group Pnma (Z=4) with the parameters a=789.7(1), b=961.2(1), c=836.3(1) pm, V=0.6348(1) nm3, R1=0.0359 and wR(2)=0.0440 (all data). The new structure type of HP-CsB5O8 exhibits the simultaneous linkage of trigonal BO3 groups, cornersharing BO4 tetrahedra, and edge-sharing BO4 tetrahedra including the presence of threefold-coordinated oxygen atoms. With respect to the rich structural chemistry of borates, HP-CsB5O8 is the second structure type possessing this outstanding combination of the main structural units of borates in one compound. The structure consists of corrugated chains of corner-and edge-sharing BO4 tetrahedra interconnected through BO3 groups forming octagonal channels. Inside these channels, cesium is 13+3-fold coordinated by oxygen atoms. 11B MQMAS NMR spectra are analyzed to estimate the isotropic chemical shift values and quadrupolar parameters. IR and Raman spectra are obtained and compared to the calculated vibrational frequencies at the G-point. The high-temperature behavior is examined by means of temperature- programmed powder diffraction.
机译：新的五硼酸铯HP-CsB5O8是在Walker型多砧装置中在6 GPa和900摄氏度的高压/高温条件下合成的。该化合物在正交晶空间群Pnma（Z = 4）中结晶，其参数为a = 789.7（1），b = 961.2（1），c = 836.3（1）pm，V = 0.6348（1）nm3，R1 = 0.0359并且wR（2）= 0.0440（所有数据）。 HP-CsB5O8的新结构类型具有三角形BO3基团，角共享BO4四面体和边缘共享BO4四面体（包括三重配位的氧原子）的同时连接。就硼酸盐的丰富结构化学而言，HP-CsB5O8是第二种结构类型，在一种化合物中具有硼酸盐主要结构单元的这种出色组合。该结构由角和边共享的BO4四面体的波纹链组成，这些波纹链通过形成八边形通道的BO3组相互连接。在这些通道内，铯是13 + 3倍的氧原子配位。分析11B MQMAS NMR光谱以估计各向同性化学位移值和四极参数。获得红外光谱和拉曼光谱，并将其与计算出的G点振动频率进行比较。通过程序升温粉末衍射检查高温行为。

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