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Materials Data on URe2 by Materials Project

URe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to one U and twelve Re atoms. The U–U bond length is 2.66 Å. There are a spread of U–Re bond distances ranging from 3.06–3.28 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded to six equivalent U and six Re atoms to form a mixture of edge, face, and corner-sharing ReU6Re6 cuboctahedra. There are two shorter (2.63 Å) and four longer (2.64 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent U and six Re atoms to form a mixture of edge, face, and corner-sharing ReU6Re6 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.67–2.85 Å. In the third Re site, Re is bonded to six equivalent U and six Re atoms to form a mixture of edge, face, and corner-sharing ReU6Re6 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on URe2 by Materials Project

URe2 is Frank-Kasper $\mu$ Phase-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to two equivalent U and twelve Re atoms. There are one shorter (2.77 Å) and one longer (3.19 Å) U–U bond lengths. There are a spread of U–Re bond distances ranging from 2.99–3.35 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded to six equivalent U and six Re atoms to form a mixture of edge, corner, and face-sharing ReU6Re6 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.67 Å) Re–Re bond lengths. In the second Re site, Re is bonded to six equivalent U and six Re atoms to form a mixture of edge, corner, and face-sharing ReU6Re6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.78 Å) Re–Re bond lengths. In the third Re site, Re is bonded to six equivalent U and six Re atoms to form a mixture of distorted edge, corner, and face-sharing ReU6Re6 cuboctahedra. There are one shorter (2.90 Å) and one longer (2.98 Å) Re–Re bond lengths.

36 MATERIALS SCIENCE↗