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All sourcesNASA NTRSDOE OSTI
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 YAlCu by Materials Project

AlCuY crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.90 Å) and four longer (2.93 Å) Y–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.24 Å) Y–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Al atoms. All Cu–Al bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Al atoms. All Cu–Al bond lengths are 2.75 Å. Al is bonded in a 12-coordinate geometry to six equivalent Y, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.85 Å.

36 MATERIALS SCIENCE↗