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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UAl2Cu by Materials Project

UCuAl2 is Heusler structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a distorted body-centered cubic geometry to six equivalent Cu and eight equivalent Al atoms. There are four shorter (3.31 Å) and two longer (3.33 Å) U–Cu bond lengths. All U–Al bond lengths are 2.88 Å. Cu is bonded in a distorted body-centered cubic geometry to six equivalent U and eight equivalent Al atoms. All Cu–Al bond lengths are 2.88 Å. Al is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2AlCu3 by Materials Project

U2Cu3Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to one U and nine equivalent Cu atoms. The U–U bond length is 2.52 Å. There are three shorter (2.98 Å) and six longer (3.00 Å) U–Cu bond lengths. Cu is bonded in a 12-coordinate geometry to six equivalent U, four equivalent Cu, and two equivalent Al atoms. There are two shorter (2.59 Å) and two longer (2.86 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.53 Å. Al is bonded in a 12-coordinate geometry to six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UAl2Cu3 by Materials Project

UCu3Al2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to twelve equivalent Cu and six equivalent Al atoms. All U–Cu bond lengths are 3.29 Å. All U–Al bond lengths are 3.03 Å. Cu is bonded to four equivalent U and four equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing CuU4Al4 cuboctahedra. All Cu–Al bond lengths are 2.50 Å. Al is bonded in a 12-coordinate geometry to three equivalent U and six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UAl5Cu6 by Materials Project

UCu6Al5 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to twelve Cu and ten Al atoms. There are a spread of U–Cu bond distances ranging from 3.13–3.57 Å. There are a spread of U–Al bond distances ranging from 3.19–3.30 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. All Cu–Cu bond lengths are 2.52 Å. There are a spread of Cu–Al bond distances ranging from 2.51–2.71 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent U, four Cu, and six Al atoms. There are one shorter (2.60 Å) and one longer (2.75 Å) Cu–Cu bond lengths. There are a spread of Cu–Al bond distances ranging from 2.52–2.81 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to two equivalent U, eight Cu, and four equivalent Al atoms. All Al–Al bond lengths are 2.85 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, seven Cu, and one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(AlCu)6 by Materials Project

UCu6Al6 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to eight Cu and twelve Al atoms. There are four shorter (3.04 Å) and four longer (3.31 Å) U–Cu bond lengths. There are eight shorter (3.23 Å) and four longer (3.36 Å) U–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and four equivalent Al atoms. All Cu–Cu bond lengths are 2.70 Å. All Cu–Al bond lengths are 2.43 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to one U, three Cu, and six Al atoms. The Cu–Cu bond length is 2.64 Å. There are a spread of Cu–Al bond distances ranging from 2.62–2.73 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. There are two shorter (2.51 Å) and four longer (2.61 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, six Cu, and four Al atoms. There are one shorter (2.76 Å) and one longer (3.00 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(Al2Cu)4 by Materials Project

UCu4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a distorted square co-planar geometry to four equivalent Cu and sixteen Al atoms. All U–Cu bond lengths are 3.04 Å. There are eight shorter (3.33 Å) and eight longer (3.36 Å) U–Al bond lengths. Cu is bonded in a 10-coordinate geometry to one U, one Cu, and eight Al atoms. The Cu–Cu bond length is 2.62 Å. There are a spread of Cu–Al bond distances ranging from 2.70–2.91 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. There are four shorter (2.57 Å) and two longer (2.70 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.75 Å.

36 MATERIALS SCIENCE↗