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Figure 4
The local atomic arrangement in i-CdYb is based on the agglomeration of PR and OR in the RD unit (colors of the atoms as in Fig. 3[link]). In (a), the RD with Yb atoms is plotted with a hexagonal bipyramid (blue) formed by eight icosahedral shells. Atoms of Cd, located on the dodecahedral shells within marked icosahedra, are plotted. With light shading, all edge-bound icosahedra are plotted to form a grid for the remaining Yb atoms. In (b), the magnified picture of the two hexagonal types of icosahedra is presented. The tetrahedron-centered one is generated by the PR unit, while the other is part of the OR. The tetrahedron has one of its faces perpendicular to the 3f axis, directed along the longer body diagonal of the PR. In (c), the magnified image of short b-linked triacontahedra is presented. The common part has the shape of a double-capped RD presented in (d). The inner structure is formed by a hexagonal prism of Cd and an octahedron with two Yb atoms in apices. Sites `a' are generated by an icosidodecahedral shell, while sites `b' are formed by dodecahedra. The sites `b' are split. The correlation plot (e) between calculated Fcalc and observed Fobs. The diffraction amplitudes show good agreement; however, a classical broadening for low-intensity peaks is observed. The orientations of each unit in space are given by three perpendicular vectors directed along the 2f axes.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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