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Figure 6
The visualization of the isosurface electron density inside the prototiles of the AKNt. The green (red) isosurface was plotted for 1/10 (1/3) of the maximal intensity. Two orientations for each rhombohedron are shown. The orientation is expressed by arrows directed towards base vectors of the icosahedral setting. The method of finding the atomic sites based on the electron density is shown. The algorithm finds the maxima which are assumed to be the centres of atoms for the initial model of the iQC. The atomic elements are ascribed to each site based on the distribution intensity in this site. Three Gaussian distributions correspond to three elements found in the sample of the ZnMgTm alloy. The strongest intensity is ascribed to Tm, whereas the weakest is Mg.

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ISSN: 2053-2733
Volume 76| Part 2| March 2020| Pages 180-196
https://doi.org/10.1107/S2053273319017339
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