The quasiperiodic average structure of highly disordered decagonal Zn–Mg–Dy and its temperature dependence

A single-crystal X-ray diffraction structure analysis of decagonal Zn–Mg–Dy, a Frank–Kasper-type quasicrystal, was performed using the higher-dimensional approach. For this first Frank–Kasper (F–K) decagonal quasicrystal studied so far, significant differences to the decagonal Al–TM-based (TM: transition metal) phases were found. A new type of twofold occupation domain is located on certain edge centers of the five-dimensional unit cell. The structure can be described in terms of a two-cluster model based on a decagonal cluster (∼ 23 Å diameter) arranged on the vertices of a pentagon-Penrose tiling (PPT) and a star-like cluster covering the remaining space. This model is used for the five-dimensional refinements, which converged to an R value of 0.126. The arrangement of clusters is significantly disordered as indicated by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). In order to check the structure and stability at higher temperatures, in-situ high-temperature (HT) single-crystal X-ray diffraction experiments were conducted at 598 and 648 K (i.e. slightly below the decomposition temperature). The structure does not change significantly, however, the best quasiperiodic order is found at 598 K. The implication of these results on the stabilization mechanism of quasicrystals is discussed.

Computing details

Figures

(I)

Crystal data

?	β = 90°
Mr = ?	γ = 90°
?, ?	V = ? Å^3
a = 101.1178 Å	Z = ?
b = 101.8220 Å	? radiation, λ = ? Å
c = 5.2100 Å	× × mm
α = 90°

Data collection

h = ?→?	l = ?→?
k = ?→?

Refinement