Comparative structural study of decagonal quasicrystals in the systems Al-Cu-Me (Me = Co, Rh, Ir).

IF 1.9 3区 化学 Acta Crystallographica Section B-structural Science Pub Date : 2012-12-01 Epub Date: 2012-11-16 DOI:10.1107/S0108768112041134
Pawel Kuczera, Janusz Wolny, Walter Steurer
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引用次数: 41

Abstract

A comparative single-crystal X-ray diffraction structure analysis of the family of Al-Cu-Me (Me = Co, Rh and Ir) decagonal quasicrystals is presented. In contrast to decagonal Al-Cu-Co, the other two decagonal phases do not show any structured disorder diffuse scattering indicating a higher degree of order. Furthermore, the atomic sites of Rh and Ir can be clearly identified, while Cu and Co cannot be distinguished because of their too similar atomic scattering factors. The structure models, derived from charge-flipping/low-density elimination results, were refined within the tiling-decoration method but also discussed in the five-dimensional embedding approach. The basic structural building units of the closely related structures are decagonal clusters with 33 Å diameter, which are consistent with the available electron-microscopic images. The refined structure models agree very well with the experimental data.

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Al-Cu-Me (Me = Co, Rh, Ir)体系中十方准晶的比较结构研究。
本文对Al-Cu-Me (Me = Co, Rh和Ir)十方准晶族的单晶x射线衍射结构进行了比较分析。与十角形Al-Cu-Co相比,其他两个十角形相没有表现出任何结构无序的扩散散射,表明有序程度更高。此外,可以清楚地识别出Rh和Ir的原子位置,而Cu和Co由于原子散射因子太相似而无法区分。基于电荷翻转/低密度消除结果的结构模型,在瓷砖装饰方法中进行了改进,并在五维嵌入方法中进行了讨论。密切相关结构的基本结构单元为直径为33 Å的十角形簇,这与现有的电子显微镜图像一致。改进后的结构模型与实验数据吻合较好。
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来源期刊
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5.30%
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审稿时长
6-12 weeks
期刊介绍: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.
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