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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y(Al2Cu)4 by Materials Project

Al8Cu4Y crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Y–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.21 Å) Y–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.57 Å. There are four shorter (2.56 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Y, four equivalent Cu, and five Al atoms. There are one shorter (2.67 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Al7Cu2 by Materials Project

Y3Cu2Al7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Cu atoms. All Y–Cu bond lengths are 3.18 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Y–Al bond distances ranging from 3.19–3.27 Å. Cu is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Al atoms. There are three shorter (2.54 Å) and three longer (2.58 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to three equivalent Y, two equivalent Cu, and one Al atom. The Al–Al bond length is 2.76 Å. In the second Al site, Al is bonded to six equivalent Y and six equivalent Al atoms to form edge-sharing AlY6Al6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YAlCu by Materials Project

AlCuY crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to six equivalent Cu and three equivalent Al atoms. All Y–Cu bond lengths are 3.17 Å. All Y–Al bond lengths are 2.84 Å. In the second Y site, Y is bonded in a distorted q6 geometry to three equivalent Cu and six equivalent Al atoms. All Y–Cu bond lengths are 2.87 Å. All Y–Al bond lengths are 2.82 Å. Cu is bonded in a 7-coordinate geometry to five Y and two equivalent Al atoms. Both Cu–Al bond lengths are 2.61 Å. Al is bonded in a 6-coordinate geometry to four Y, two equivalent Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.82 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YAlCu2 by Materials Project

YCu2Al crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two YCu2Al ribbons oriented in the (1, 0, 0) direction. Y is bonded in a linear geometry to two equivalent Cu atoms. Both Y–Cu bond lengths are 2.80 Å. Cu is bonded in a linear geometry to one Y and one Al atom. The Cu–Al bond length is 2.44 Å. Al is bonded in a linear geometry to two equivalent Cu atoms.

36 MATERIALS SCIENCE↗