Structure refinement of i-Al-Pd-Re quasicrystals by synchrotron radiation data
Structure refinement of i-Al-Pd-Re quasicrystals by synchrotron radiation data
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DOI：
10.1016/j.jnoncrysol.2003.11.030
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发表时间：
2004-03
影响因子：
3.5
通讯作者：
A. Yamamoto;H. Takakura;T. Ozeki;A. Tsai;Y. Ohashi
中科院分区：
文献类型：
--
作者：
A. Yamamoto;H. Takakura;T. Ozeki;A. Tsai;Y. Ohashi
本文首次报道了利用成像板和同步辐射分析了二十面体Al-Pd-Re （i-Al-Pd-Re）准晶体的结构。采用低密度消去法（LDEM）确定了精化的初始模型。六维空间的电子密度表明，该相与i-Al-Pd-Mn具有同构性，其Re位与Mn位相对应。对于1312个独立反射，结构改进的r因子为0.076。在i-Al-Pd-Mn中，有些原子明显地偏离了理想位置，有些原子位置是空的。
A structure of an icosahedral Al–Pd–Re (i-Al–Pd–Re) quasicrystal analyzed by using an imaging plate Weissenberg camera and synchrotron radiation is reported for the first time. An initial model for the refinement has been determined by the low-density elimination method (LDEM). The electron density in six-dimensional space showed that this phase is isostructural to i-Al–Pd–Mn, and its Re sites correspond to the Mn sites in the latter. The structure refinement gave an R-factor of 0.076 for 1312 independent reflections. Some atoms are shifted significantly from their ideal positions and some atom sites in i-Al–Pd–Mn are unoccupied.