二十面体相衍射图样的计算

Dongshan Zhao, Renhui Wang, Yifan Cheng, Zhouguang Wang
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引用次数: 4

摘要

Elser(1985,1986)提出的计算简单准晶格电子衍射图的方法已推广到二十面体相由20个长形和扁形菱形体堆叠而成,每个菱形体具有相同的原子装饰的情况。计算了四种原子模型的电子衍射图、粉末x射线衍射图和中子衍射图,并与实验结果进行了比较。
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Calculation of diffraction patterns of the icosahedral phase
The method of calculating electron diffraction patterns of the simple quasilattice developed by Elser (1985, 1986) has been generalised to the case where the icosahedral phase is stacked with 20 prolate and oblate rhombohedra and each rhombohedron has the same atomic decoration. The electron diffraction patterns and the powder X-ray and neutron diffraction patterns for four atomic models have been calculated and compared with experimental ones.
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