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Figure 10
The local atomic environment is based on clusters, with the last shell being an RT polyhedron found in the rhombic dodecahedron composed of two acute rhombohedra and two obtuse rhombohedra. Two types of atomic clusters, Bergman and Tsai, are studied as examples to reveal structural properties. Short Mg–Mg bonds are observed in the dodecahedral shell of the Tsai cluster, created by the Mg4 tetrahedron. The observation of additional atoms in the dodecahedral shell is confirmed with the electron-density map. Split atoms due to deviation from high-symmetry Wyckoff sites are shown with a wireframe mesh for clarity of presentation.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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