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Materials Data on HfRe2 by Materials Project

HfRe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to twelve Re atoms. There are three shorter (3.08 Å) and nine longer (3.10 Å) Hf–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Hf and six equivalent Re atoms to form a mixture of face, edge, and corner-sharing ReHf6Re6 cuboctahedra. All Re–Re bond lengths are 2.67 Å. In the second Re site, Re is bonded to six equivalent Hf and six Re atoms to form a mixture of face, edge, and corner-sharing ReHf6Re6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.72 Å) Re–Re bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Hf5Re24 by Materials Project

Hf5Re24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Re atoms. All Hf–Hf bond lengths are 3.14 Å. All Hf–Re bond lengths are 3.06 Å. In the second Hf site, Hf is bonded in a 3-coordinate geometry to one Hf and fifteen Re atoms. There are a spread of Hf–Re bond distances ranging from 2.79–3.24 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Hf and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.56–2.93 Å. In the second Re site, Re is bonded to four Hf and eight Re atoms to form a mixture of distorted edge, corner, and face-sharing ReHf4Re8 cuboctahedra. There are one shorter (2.52 Å) and two longer (2.68 Å) Re–Re bond lengths.

36 MATERIALS SCIENCE↗