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DOE OSTI · 1704105

Materials Data on LuRe2 by Materials Project

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Abstract

LuRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Lu–Re bond distances ranging from 3.12–3.16 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Lu and six equivalent Re atoms to form a mixture of face, edge, and corner-sharing ReLu6Re6 cuboctahedra. All Re–Re bond lengths are 2.71 Å. In the second Re site, Re is bonded to six equivalent Lu and six Re atoms to form a mixture of face, edge, and corner-sharing ReLu6Re6 cuboctahedra. There are two shorter (2.61 Å) and two longer (2.78 Å) Re–Re bond lengths.

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36 MATERIALS SCIENCEcrystal structureLu-ReLuRe2

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2018-07-18. Materials Data on LuRe2 by Materials Project. https://doi.org/10.17188/1704105

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