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DOE OSTI · 1272553

Materials Data on YRu2 by Materials Project

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Abstract

YRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Y–Ru bond distances ranging from 3.10–3.21 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Y and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuY6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å. In the second Ru site, Ru is bonded to six equivalent Y and six Ru atoms to form a mixture of corner, edge, and face-sharing RuY6Ru6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.69 Å) Ru–Ru bond lengths.

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36 MATERIALS SCIENCEcrystal structureRu-YYRu2

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2020-07-16. Materials Data on YRu2 by Materials Project. https://doi.org/10.17188/1272553

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