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DOE OSTI · 1276003

Materials Data on YRe2 by Materials Project

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Abstract

Re2Y 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 Re atoms. There are a spread of Y–Re bond distances ranging from 3.17–3.19 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Y and six equivalent Re atoms to form a mixture of edge, face, and corner-sharing ReY6Re6 cuboctahedra. All Re–Re bond lengths are 2.74 Å. In the second Re site, Re is bonded to six equivalent Y and six Re atoms to form a mixture of edge, face, and corner-sharing ReY6Re6 cuboctahedra. There are two shorter (2.65 Å) and two longer (2.79 Å) Re–Re bond lengths.

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36 MATERIALS SCIENCEcrystal structureRe-YYRe2

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2020-07-16. Materials Data on YRe2 by Materials Project. https://doi.org/10.17188/1276003

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