Berger Robert F, Lee Stephen, Johnson Jeffreys, Nebgen Ben, So Adrian Chi-Yau
Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301, USA.
Chemistry. 2008;14(22):6627-39. doi: 10.1002/chem.200800336.
Of the most common cubic intermetallic structure types, several (MgCu(2), Cu(5)Zn(8), Ti(2)Ni, and alpha-Mn) have superstructures with unusual symmetry properties. These superstructures (Be(5)Au, Li(21)Si(5), Sm(11)Cd(45), and Mg(44)Ir(7)) have the unusual property of pairs of perpendicular pseudo fivefold axes, most apparent in their X-ray diffraction patterns. The current work shows that an 8D to 3D projection method cleanly describes most (and in one case, all) of the atomic positions in the four superstructures mentioned above. This type of projection, which maps the E(8) lattice (a mathematically simple 8D crystal) into 3D space, combines the desired higher dimensional point group's perpendicular fivefold rotations with 3D translational symmetry-exactly what we see in the experimental crystal structures. The projection method successfully accounts for all heavy atom positions in the four superstructures, and at least 60-70 % of the light atom positions. The results suggest that all of these structures, previously known to be connected only by qualitative similarities in their atomic "clusters", are approximants of a single, as-yet unknown, class of quasicrystal.
在最常见的立方金属间化合物结构类型中,有几种(MgCu₂、Cu₅Zn₈、Ti₂Ni和α-Mn)具有具有异常对称性质的超结构。这些超结构(Be₅Au、Li₂₁Si₅、Sm₁₁Cd₄₅和Mg₄₄Ir₇)具有成对垂直的伪五重轴这一异常性质,在它们的X射线衍射图中最为明显。当前的工作表明,一种8维到3维的投影方法能够清晰地描述上述四种超结构中大部分(在一种情况下是全部)的原子位置。这种投影将E₈晶格(一种数学上简单的8维晶体)映射到3维空间,它将所需的高维点群的垂直五重旋转与3维平移对称性结合在一起——这正是我们在实验晶体结构中所看到的。该投影方法成功地解释了这四种超结构中所有重原子的位置,以及至少60% - 70%的轻原子位置。结果表明,所有这些结构,以前仅通过其原子“簇”中的定性相似性而被认为是相关的,都是一种单一的、尚未知晓的准晶类的近似晶体。