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DOE OSTI · 1188586

Materials Data on ZrRe2 by Materials Project

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Abstract

ZrRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Zr–Re bond distances ranging from 3.09–3.12 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Zr and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReZr6Re6 cuboctahedra. All Re–Re bond lengths are 2.68 Å. In the second Re site, Re is bonded to six equivalent Zr and six Re atoms to form a mixture of edge, corner, and face-sharing ReZr6Re6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.73 Å) Re–Re bond lengths.

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36 MATERIALS SCIENCEcrystal structureRe-ZrZrRe2

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2020-07-16. Materials Data on ZrRe2 by Materials Project. https://doi.org/10.17188/1188586

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