{"title":"A parsimonious structure model for the icosahedral quasicrystal Cd<sub>5.7</sub>Yb.","authors":"M Feuerbacher","doi":"10.1107/S2053273326006601","DOIUrl":null,"url":null,"abstract":"<p><p>A compact structure model for the icosahedral phase Cd<sub>5.7</sub>Yb is presented. The model is based on a higher-dimensional description and a cut-and-projection procedure to generate the atom distribution in 3D physical space. It strictly employs only spherical or elliptical occupation domains, ensuring a low number of parameters and low calculation cost. In the presented form the model has seven adjustable parameters. Despite its minimalistic setting, the model reproduces very well available experimental data, such as chemical composition, mass density and electron-density distribution, as well as the cluster structure in physical space. Nevertheless, the approximation of the occupation domains by spheres and ellipses evidently implies limitations in accuracy and universality. The model can be adapted for the description of other Tsai-type icosahedral phases.</p>","PeriodicalId":106,"journal":{"name":"Acta Crystallographica Section A: Foundations and Advances","volume":" ","pages":"383-391"},"PeriodicalIF":2.1000,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13542913/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section A: Foundations and Advances","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1107/S2053273326006601","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2026/7/9 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
A compact structure model for the icosahedral phase Cd5.7Yb is presented. The model is based on a higher-dimensional description and a cut-and-projection procedure to generate the atom distribution in 3D physical space. It strictly employs only spherical or elliptical occupation domains, ensuring a low number of parameters and low calculation cost. In the presented form the model has seven adjustable parameters. Despite its minimalistic setting, the model reproduces very well available experimental data, such as chemical composition, mass density and electron-density distribution, as well as the cluster structure in physical space. Nevertheless, the approximation of the occupation domains by spheres and ellipses evidently implies limitations in accuracy and universality. The model can be adapted for the description of other Tsai-type icosahedral phases.
期刊介绍：
Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials.
The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial.
The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.
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