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Figure 5
Local atomic arrangement in i-CdYb based on the agglomeration of PR and OR in the RD unit (colors of the atoms as in Fig. 5[link]). In (a), the RD with Yb atoms is plotted with hexagonal bipyramid (blue) formed by eight RTH shells. Atoms of Cd, located in the vertices of icosahedral #1 shells, are marked with the addition of partially occupied sites associated with the tetrahedron. With light shading, all edge-bound RTH units are plotted to form a grid for the remaining Yb atoms. In (b), the magnified image of half of the Tsai cluster with a tetrahedron is depicted. The tetrahedron is assumed to be a partially occupied icosahedron with 0.3 occupancy probability. In (c), the magnified image of short b-linked triacontahedra is presented. The common part has the shape of a double-capped RD (d). The internal structure is made up of a hexagonal bipyramid and Cd atoms belonging to polyhedra (e) and (f). Atoms `b' and `c' create short distances. Atom `b' comes from an icosahedral shell that forms the b-linkage and is located at the phason flip site. Atom `c' is generated by an external icosahedral shell. We believe that this is not a consistent feature because the symmetry-related side from the RD is free of this atom. The orientations of each unit in space are given by three perpendicular vectors directed along the 2f axes. In (g), the correlation plot between calculated Fcalc and observed Fobs diffraction amplitudes are shown.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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