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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UGaCu by Materials Project

UCuGa crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to two equivalent U, six equivalent Cu, and six equivalent Ga atoms. Both U–U bond lengths are 2.84 Å. There are three shorter (3.01 Å) and three longer (3.06 Å) U–Cu bond lengths. There are three shorter (3.02 Å) and three longer (3.05 Å) U–Ga bond lengths. Cu is bonded in a 11-coordinate geometry to six equivalent U and five equivalent Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.68–2.92 Å. Ga is bonded in a 11-coordinate geometry to six equivalent U and five equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(GaCu3)2 by Materials Project

U(Cu3Ga)2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 9-coordinate geometry to fifteen Cu and four Ga atoms. There are a spread of U–Cu bond distances ranging from 3.01–3.26 Å. There are one shorter (3.42 Å) and three longer (3.44 Å) U–Ga bond lengths. In the second U site, U is bonded in a 9-coordinate geometry to fifteen Cu and three equivalent Ga atoms. There are a spread of U–Cu bond distances ranging from 3.02–3.35 Å. All U–Ga bond lengths are 3.29 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to two U, six Cu, and three Ga atoms. There are a spread of Cu–Cu bond distances ranging from 2.55–2.66 Å. There are a spread of Cu–Ga bond distances ranging from 2.44–2.77 Å. In the second Cu site, Cu is bonded to three U, six Cu, and three Ga atoms to form a mixture of edge, corner, and face-sharing CuU3Ga3Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.49 Å. There are two shorter (2.61 Å) and one longer (2.89 Å) Cu–Ga bond lengths. In the third Cu site, Cu is bonded in a 11-coordinate geometry to three U, six Cu, and two equivalent Ga atoms. Both Cu–Ga bond lengths are 2.50 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to two U, eight Cu, and one Ga atom. The Ga–Ga bond length is 2.95 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to one U, nine Cu, and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UGa2Cu3 by Materials Project

UCu3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to twelve Cu and six equivalent Ga atoms. There are eight shorter (3.30 Å) and four longer (3.33 Å) U–Cu bond lengths. There are two shorter (3.02 Å) and four longer (3.05 Å) U–Ga bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent U, four equivalent Cu, and four equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing CuU4Ga4Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.62 Å. All Cu–Ga bond lengths are 2.51 Å. In the second Cu site, Cu is bonded to four equivalent U, four Cu, and four equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing CuU4Ga4Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.66 Å. All Cu–Ga bond lengths are 2.53 Å. Ga is bonded in a 12-coordinate geometry to three equivalent U and six Cu atoms.

36 MATERIALS SCIENCE↗