Buganski Ireneusz, Strzalka Radoslaw, Wolny Janusz
Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Al. Mickiewicza 30, Krakow, Malopolska 30-059, Poland.
Acta Crystallogr A Found Adv. 2022 Sep 1;78(Pt 5):402-414. doi: 10.1107/S2053273322006325. Epub 2022 Jul 8.
Five datasets of high-temperature X-ray diffraction performed upon the decagonal phase of AlCuRh are used to derive the temperature-related structural changes. Two sets of atomic structure refinements are conducted, with four and five atomic surfaces, respectively. The fifth atomic surface emerges as a consequence either of the transition to a tiling with different local isomorphism than the Penrose tiling or of the structure being phason disordered. The correlation of the occupancy of the fifth atomic surface with the thermal dependence of the lattice constants is 80%. In addition, the structural refinement with five atomic surfaces allowed a better agreement with the experimental data to be obtained, compared with the model with four atomic surfaces.
利用对AlCuRh十边形相进行高温X射线衍射得到的五个数据集来推导与温度相关的结构变化。进行了两组原子结构精修，分别有四个和五个原子面。第五个原子面的出现是由于向具有与彭罗斯镶嵌不同的局部同构性的平铺转变，或者是由于结构存在相子无序。第五个原子面的占有率与晶格常数的热依赖性之间的相关性为80%。此外，与具有四个原子面的模型相比，具有五个原子面的结构精修能更好地与实验数据吻合。
