Takakura H, Yamamoto A, Tsai A P
CREST, Japan Science and Technology Corporation and National Research Institute for Metals, Tsukuba 305-0047, Japan.
Acta Crystallogr A. 2001 Sep;57(Pt 5):576-85. doi: 10.1107/s0108767301007942. Epub 2001 Sep 1.
The structure of a decagonal Al72Ni20Co8 quasicrystal with space group P10(5)/mmc has been determined on the basis of a single-crystal X-ray data set using the five-dimensional description. The best-fit model structure based on a cluster model having lower symmetry than the decagonal symmetry with 103 parameters gives wR = 0.045 and R = 0.063 for 449 reflections. The structure is well described by the hexagon, boat and star tiling with an edge length of 6.36 A and is very consistent with recent high-resolution electron-microscopy images. The refined structure is compared with previously discussed model structures including cluster-based models having 20 A tenfold symmetric clusters.
基于使用五维描述的单晶X射线数据集,确定了具有空间群P10(5)/mmc的十边形Al72Ni20Co8准晶体的结构。基于比十边形对称性低的簇模型的最佳拟合模型结构(具有103个参数),对于449个反射,wR = 0.045,R = 0.063。该结构通过边长为6.36 Å的六边形、船形和星形平铺得到了很好的描述,并且与最近的高分辨率电子显微镜图像非常一致。将优化后的结构与先前讨论的模型结构进行了比较,包括具有20 Å十重对称簇的基于簇的模型。