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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y2(Al3Co)3 by Materials Project

Y2Co3Al9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Y–Al bond distances ranging from 2.96–3.08 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Al atoms. There are four shorter (2.51 Å) and four longer (2.57 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.48–2.57 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Co, and six Al atoms. There are four shorter (2.74 Å) and two longer (2.76 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to two equivalent Y, three Co, and four Al atoms. There are two shorter (2.69 Å) and two longer (2.89 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Co, and six Al atoms. There are one shorter (2.73 Å) and two longer (2.78 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y, three Co, and five Al atoms. There are one shorter (2.76 Å) and one longer (2.82 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YAl2Co by Materials Project

YCoAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to three equivalent Co and ten equivalent Al atoms. There are one shorter (2.78 Å) and two longer (3.03 Å) Y–Co bond lengths. There are a spread of Y–Al bond distances ranging from 3.12–3.30 Å. Co is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Al atoms. There are two shorter (2.48 Å) and four longer (2.49 Å) Co–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Y and three equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Al3Co14 by Materials Project

Y2Co14Al3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.93–3.19 Å. In the second Y site, Y is bonded in a 8-coordinate geometry to fourteen Co and six equivalent Al atoms. There are a spread of Y–Co bond distances ranging from 2.95–3.14 Å. All Y–Al bond lengths are 3.16 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to one Y, ten Co, and three equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.28–2.71 Å. All Co–Al bond lengths are 2.58 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two Y, eight Co, and two equivalent Al atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.60 Å. Both Co–Al bond lengths are 2.42 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three Y, seven Co, and two equivalent Al atoms. Both Co–Co bond lengths are 2.36 Å. Both Co–Al bond lengths are 2.45 Å. Al is bonded in a 12-coordinate geometry to two equivalent Y and ten Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YAlCo4 by Materials Project

YCo4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Al atoms. There are three shorter (2.91 Å) and twelve longer (3.18 Å) Y–Co bond lengths. All Y–Al bond lengths are 2.91 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Y, six equivalent Co, and three equivalent Al atoms to form CoY3Al3Co6 cuboctahedra that share corners with nine equivalent AlY3Co9 cuboctahedra, corners with twelve equivalent CoY4Al2Co6 cuboctahedra, edges with six equivalent CoY3Al3Co6 cuboctahedra, faces with three equivalent AlY3Co9 cuboctahedra, and faces with twenty CoY3Al3Co6 cuboctahedra. All Co–Co bond lengths are 2.40 Å. All Co–Al bond lengths are 2.91 Å. In the second Co site, Co is bonded to four equivalent Y, six Co, and two equivalent Al atoms to form distorted CoY4Al2Co6 cuboctahedra that share corners with four equivalent AlY3Co9 cuboctahedra, corners with twenty CoY3Al3Co6 cuboctahedra, edges with ten equivalent CoY4Al2Co6 cuboctahedra, faces with six equivalent AlY3Co9 cuboctahedra, and faces with sixteen CoY3Al3Co6 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.57 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.44 Å. Al is bonded to three equivalent Y and nine Co atoms to form distorted AlY3Co9 cuboctahedra that share corners with twenty-one CoY3Al3Co6 cuboctahedra, edges with six equivalent AlY3Co9 cuboctahedra, faces with two equivalent AlY3Co9 cuboctahedra, and faces with twenty-one CoY3Al3Co6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2AlCo3 by Materials Project

Y2Co3Al crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to four equivalent Y, nine equivalent Co, and three equivalent Al atoms. There are one shorter (3.02 Å) and three longer (3.22 Å) Y–Y bond lengths. There are three shorter (2.86 Å) and six longer (3.08 Å) Y–Co bond lengths. All Y–Al bond lengths are 3.13 Å. Co is bonded to six equivalent Y, four equivalent Co, and two equivalent Al atoms to form distorted CoY6Al2Co4 cuboctahedra that share corners with four equivalent AlY6Co6 cuboctahedra, corners with fourteen equivalent CoY6Al2Co4 cuboctahedra, edges with six equivalent CoY6Al2Co4 cuboctahedra, faces with six equivalent AlY6Co6 cuboctahedra, and faces with twelve equivalent CoY6Al2Co4 cuboctahedra. All Co–Co bond lengths are 2.68 Å. Both Co–Al bond lengths are 2.49 Å. Al is bonded to six equivalent Y and six equivalent Co atoms to form distorted AlY6Co6 cuboctahedra that share corners with six equivalent AlY6Co6 cuboctahedra, corners with twelve equivalent CoY6Al2Co4 cuboctahedra, edges with six equivalent AlY6Co6 cuboctahedra, and faces with eighteen equivalent CoY6Al2Co4 cuboctahedra.

36 MATERIALS SCIENCE↗