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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Atomic structure solution of the complex quasicrystal approximant Al_(77)Rh_(15)Ru_8 from electron diffraction data
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Atomic structure solution of the complex quasicrystal approximant Al_(77)Rh_(15)Ru_8 from electron diffraction data

机译：从电子衍射数据看准复晶体准Al_（77）Rh_（15）Ru_8的原子结构解

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摘要

The crystal structure of the novel Al77Rh15Ru8 phase (which is an approximant of decagonal quasicrystals) was determined using modern direct methods (MDM) applied to automated electron diffraction tomography (ADT) data. The Al_(77)Rh_(15)Ru_8 E-phase is orthorhombic [Pbma, a = 23.40 (5), b = 16.20 (4) and c = 20.00 (5) ?] and has one of the most complicated intermetallic structures solved solely by electron diffraction methods. Its structural model consists of 78 unique atomic positions in the unit cell (19 Rh/Ru and 59 Al). Precession electron diffraction (PED) patterns and highresolution electron microscopy (HRTEM) images were used for the validation of the proposed atomic model. The structure of the E-phase is described using hierarchical packing of polyhedra and a single type of tiling in the form of a parallelogram. Based on this description, the structure of the E-phase is compared with that of the ?6-phase formed in Al– Rh–Ru at close compositions.
机译：使用适用于自动电子衍射断层扫描（ADT）数据的现代直接方法（MDM）确定了新型Al77Rh15Ru8相的晶体结构（近似于十边形准晶体）。 Al_（77）Rh_（15）Ru_8 E相为正交晶体[Pbma，a = 23.40（5），b = 16.20（4）和c = 20.00（5）？]，并且具有最复杂的金属间化合物结构之一仅通过电子衍射方法。其结构模型由晶胞中的78个唯一原子位置（19 Rh / Ru和59 Al）组成。进动电子衍射（PED）模式和高分辨率电子显微镜（HRTEM）图像用于验证所提出的原子模型。使用多面体的分层堆积和平行四边形形式的单一类型的拼贴来描述E相的结构。根据此描述，将E相的结构与在Al–Rh–Ru中接近形成的α6-相的结构进行了比较。

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