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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >A five-dimensional structural investigation of the misfit layer compound [Bi0.87SrO2](2)[CoO2](1.82)
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A five-dimensional structural investigation of the misfit layer compound [Bi0.87SrO2](2)[CoO2](1.82)

机译：错配层化合物[Bi0.87SrO2]（2）[CoO2]（1.82）的五维结构研究

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摘要

The structure of the misfit layer compound [Bi0.87SrO2](2)[CoO2](1.82), bismuth strontium cobaltite, was determined by single-crystal X-ray diffraction using the five-dimensional superspace-group formalism. This composite crystal, of monoclinic symmetry, is composed of two subsystems exhibiting incommensurate periodicities along b, the binary axis direction. The first composite part [Bi0.87SrO2] displays an intrinsic modulation of planar monoclinic type characterized by the wavevector q* = 0.293a* + 0.915c*. The second composite part [CoO2] shows two different centered lattice variants. The structure of the misfit layer crystal can be described as an alternation along c of distorted rock-salt-type slabs, formed from [BiO] and [SrO] layers (first subsystem), and of [CoO2] layers (second subsystem) displaying a distorted CdI2-type structure. Two main structural results are obtained. First, as a consequence of the intrinsic modulation, disordered zones, characterized by Bi vacancies, are regularly distributed in the [BiO] layers. Second, strong chemical bonds are implied between the strontium atoms of the first subsystem and the oxygen atoms of the second one. [References: 33]
机译：错配层化合物[Bi0.87SrO2]（2）[CoO2]（1.82）的铋锶钴酸钴的结构是通过单晶X射线衍射使用五维超空间基团形式确定的。这种单斜晶对称的复合晶体由两个子系统（沿二轴方向b表现出不相称的周期性）组成。第一复合部分[Bi0.87SrO2]显示平面单斜晶型的固有调制，其特征是波矢量q * = 0.293a * + 0.915c *。第二复合部分[CoO2]显示了两个不同的居中晶格变体。失配层晶体的结构可以描述为由[BiO]和[SrO]层（第一子系统）和[CoO2]层（第二子系统）组成的扭曲的盐岩型平板沿c的交替显示。扭曲的CdI2型结构。获得了两个主要的结构结果。首先，由于固有的调制，以Bi空位为特征的无序区规则地分布在[BiO]层中。其次，第一个子系统的锶原子与第二个子系统的氧原子之间存在强化学键。 [参考：33]

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