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July 11, 2026Acta Crystallographica Section A Foundations and Advances0 citationsOpen Access

A parsimonious structure model for the icosahedral quasicrystal Cd 5.7 Yb

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MFM. Feuerbacher

Key Points

  • This research aims to develop a simplified structure model for the icosahedral quasicrystal Cd5.7Yb.
  • Created a model using higher-dimensional description and cut-and-projection technique.
  • Utilized spherical and elliptical occupation domains with seven adjustable parameters.
  • Evaluated the model against experimental data including chemical composition and electron-density distribution.
  • The model accurately reflects available experimental data, validating its effectiveness.
  • Demonstrated low calculation cost while maintaining essential accuracy in atom distribution.
  • Identified limitations in accuracy due to approximating occupation domains as spheres and ellipses.

Abstract

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.

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Cite This Study

M. Feuerbacher (2026) studied this question.

synapsesocial.com/papers/6a51dd5ac18d7f28ca4fff86https://doi.org/10.1107/s2053273326006601
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