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Atomic structure of icosahedral quasicrystals: stacking multiple quasi-unit cells

机译：ICOSAHEDRAL拟替替氏菌的原子结构：堆叠多个准单元细胞

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摘要

An effective tiling approach is proposed for the structural description of icosahedral quasicrystals based on the original substitution algorithm. The atomic structure of icosahedral quasicrystals may by derived by using the iterative and recursive inflation/deflation procedure with subsequent decoration of quasi-unit cells. The quasi-unit cells are stacked in three-dimensional space face-to-face without any gaps between them producing the whole infinite icosahedral structure in the same manner as the usual periodic crystals are generated by multiplication of their unit cells containing one or more atoms in a specific spatial arrangement. A variety of examples illustrating the efficiency of the general algorithm is presented. Stacking of quasi-unit cells along the five-fold axis, as well as the arrangement of cells normal to the five-fold, three-fold, and two-fold axes are presented. The possible atomic structure of an icosahedral single-component quasicrystal is derived. Three types of inequivalent sites with exact icosahedral symmetry may simultaneously exist in the quasicrystalline structure. The structure of characteristic clusters enforced by the compatibility with the quasicrystalline type of ordering is discussed.
机译：基于原始替代算法，提出了一种有效的平铺方法，用于基于原始替代算法的ICOSAHEDRAL拟替替替斯语的结构描述。通过使用随后的准单元细胞装饰来源通过使用迭代和递归通胀/放气来源来源的ICOSAHEDRAL拟替替替替替氏菌的原子结构。准单元电池在面对三维空间中堆叠，在它们之间形成与它们之间的整个无限ICOSaheLal结构之间的任何间隙以相同的方式，因为通常通过含有一个或多个原子的单位细胞繁殖产生通常的周期性晶体在特定的空间安排中。提出了一种说明常规算法效率的各种示例。呈现沿五折轴堆叠准单元电池，以及垂直于五折，三倍和双折轴的细胞的布置。推导出ICOSAHEDRAL单组分拟替代的可能原子结构。具有精确的ICOSAHEDRAL对称性的三种类型的不平等位点可以同时存在于拟晶结构中。讨论了与配套类型的顺序相容强制执行的特征簇的结构。

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  • 来源
    《RSC Advances》 |2015年第97期|共19页
  • 作者

    Madison Alexey E.;

  • 作者单位

    Admiral Makarov State Univ Maritime &

    Inland Ship St Petersburg 198035 Russia;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
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