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DOE OSTI · 1274989

Materials Data on ErRu2 by Materials Project

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Abstract

ErRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Er–Ru bond distances ranging from 3.09–3.18 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Er and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuEr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.72 Å. In the second Ru site, Ru is bonded to six equivalent Er and six Ru atoms to form a mixture of corner, edge, and face-sharing RuEr6Ru6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.70 Å) Ru–Ru bond lengths.

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36 MATERIALS SCIENCEcrystal structureEr-RuErRu2

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2019-06-06. Materials Data on ErRu2 by Materials Project. https://doi.org/10.17188/1274989

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