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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UCuGe by Materials Project

UCuGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded to six equivalent Cu and six equivalent Ge atoms to form a mixture of edge and face-sharing UCu6Ge6 cuboctahedra. All U–Cu bond lengths are 3.09 Å. All U–Ge bond lengths are 3.09 Å. Cu is bonded in a 3-coordinate geometry to six equivalent U and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.39 Å. Ge is bonded in a 3-coordinate geometry to six equivalent U and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(CuGe)2 by Materials Project

UCu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent Ge atoms. All U–Cu bond lengths are 3.28 Å. All U–Ge bond lengths are 3.11 Å. Cu is bonded to four equivalent U and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing CuU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.46 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3(CuGe)4 by Materials Project

U3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.03 Å) and two longer (3.09 Å) U–Cu bond lengths. There are four shorter (3.05 Å) and two longer (3.10 Å) U–Ge bond lengths. In the second U site, U is bonded to six Ge atoms to form edge-sharing UGe6 octahedra. There are four shorter (2.93 Å) and two longer (2.97 Å) U–Ge bond lengths. Cu is bonded in a 4-coordinate geometry to three equivalent U, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.48 Å. There are a spread of Cu–Ge bond distances ranging from 2.46–2.58 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three U and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six U, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.57 Å.

36 MATERIALS SCIENCE↗