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首页> 外文期刊>Crystal Research and Technology: Journal of Experimental and Industrial Crystallography >The crystal structure of high-temperature alpha-CsB5O8 modification at 20, 300, and 500 degrees C
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The crystal structure of high-temperature alpha-CsB5O8 modification at 20, 300, and 500 degrees C

机译：20、300和500摄氏度下高温α-CsB5O8修饰的晶体结构

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摘要

The crystal structure of the alpha-CsB5O8 high-temperature modification has been refined by single crystal X-Ray diffraction at 20, 300, and 500 degreesC. The structure is based on the zigzag boron-oxygen layers built up from rigid <2Deltasquare>-<2Deltasquare> pentaborate groups. Cs atoms are located in large cavities of the layer and have nine neighboring oxygen atoms. Five oxygen neighbors are placed within the same layer as the Cs cation; the other four ones belong to two adjacent layers. Thermal stability of the boron-oxygen triangles, tetrahedra, and pentaborate groups was established. Thermal expansion of the structure observed with the use of high-temperature powder X-ray diffraction has sharply anisotropic character: alpha(11) = 27, alpha(22) = 6 1, alpha(33) = -8x10(-6) K-1. The CsO9 cation polyhedron plays dominating role in bulk thermal expansion of the structure, whereas the high anisotropy is caused by partial straightening of the zig-zag layer through hinge mechanism.
机译：α-CsB5O8高温修饰的晶体结构已通过在20、300和500摄氏度下进行单晶X射线衍射进行了改进。该结构基于由刚性<2Deltasquare>-<2Deltasquare>五硼酸盐基团构成的之字形硼氧层。 Cs原子位于该层的大空腔中，并具有9个相邻的氧原子。五个氧邻域与Cs阳离子位于同一层内;其他四个属于两个相邻的层。建立了硼-氧三角形，四面体和五硼酸酯基团的热稳定性。使用高温粉末X射线衍射观察到的结构的热膨胀具有明显的各向异性特征：alpha（11）= 27，alpha（22）= 6 1，alpha（33）= -8x10（-6）K -1。 CsO9阳离子多面体在结构的整体热膨胀中起主要作用，而高各向异性是通过铰链机制将之字形层部分拉直而引起的。

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