Materials Data on ScRu2 by Materials Project
ScRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Sc–Ru bond distances ranging from 3.02–3.10 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Sc and six equivalent Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Sc and six Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.66 Å) Ru–Ru bond lengths.
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