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Figure 2
Analysis of the local atomic structure in the i-CdYb QC. Two types of clusters are identified, i.e. the Tsai (red) and Bergman (blue) clusters. The shell structure of each cluster is presented as a wireframe skeleton with isosurfaces of the electron density. The isosurface is calculated at the level of ρiso = 1/30ρmax. The Tsai and Bergman clusters are linked along the al-linkage with a length of 9.205 Å which corresponds to the real space distance between the centers of ODV and ODB. The common part between the overlapping RTH outer shell is a rhombic icosahedron with truncated vertices. A Tsai cluster can be pictured as a central cluster surrounded by Bergman clusters with one vertex in the center of the Tsai cluster for each Bergman cluster. Clusters with the 3f symmetry vertex centered are darker blue compared to clusters with the 5f vertex centered.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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