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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy(Al2Cu)4 by Materials Project

Dy(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Dy–Cu bond lengths are 3.37 Å. There are four shorter (3.07 Å) and eight longer (3.21 Å) Dy–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Dy, 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 12-coordinate geometry to two equivalent Dy, four equivalent Cu, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.82 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Dy, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlCu by Materials Project

DyCuAl crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Al atoms. There are two shorter (3.10 Å) and four longer (3.18 Å) Dy–Cu bond lengths. There are two shorter (3.13 Å) and four longer (3.17 Å) Dy–Al bond lengths. Cu is bonded to six equivalent Dy, two equivalent Cu, and four equivalent Al atoms to form CuDy6Al4Cu2 cuboctahedra that share corners with eight equivalent AlDy6Al2Cu4 cuboctahedra, corners with ten equivalent CuDy6Al4Cu2 cuboctahedra, edges with six equivalent CuDy6Al4Cu2 cuboctahedra, faces with six equivalent CuDy6Al4Cu2 cuboctahedra, and faces with twelve equivalent AlDy6Al2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.72 Å. All Cu–Al bond lengths are 2.68 Å. Al is bonded to six equivalent Dy, four equivalent Cu, and two equivalent Al atoms to form AlDy6Al2Cu4 cuboctahedra that share corners with eight equivalent CuDy6Al4Cu2 cuboctahedra, corners with ten equivalent AlDy6Al2Cu4 cuboctahedra, edges with six equivalent AlDy6Al2Cu4 cuboctahedra, faces with six equivalent AlDy6Al2Cu4 cuboctahedra, and faces with twelve equivalent CuDy6Al4Cu2 cuboctahedra. Both Al–Al bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlCu by Materials Project

DyCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.93 Å) Dy–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.24 Å) Dy–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Al atoms. All Cu–Al bond lengths are 2.62 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Dy 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 Dy, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Al3Cu by Materials Project

Dy2CuAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy, three equivalent Cu, and nine equivalent Al atoms. There are one shorter (3.25 Å) and three longer (3.40 Å) Dy–Dy bond lengths. All Dy–Cu bond lengths are 3.25 Å. There are three shorter (3.19 Å) and six longer (3.22 Å) Dy–Al bond lengths. Cu is bonded to six equivalent Dy and six equivalent Al atoms to form CuDy6Al6 cuboctahedra that share corners with six equivalent CuDy6Al6 cuboctahedra, corners with twelve equivalent AlDy6Al4Cu2 cuboctahedra, edges with six equivalent CuDy6Al6 cuboctahedra, and faces with eighteen equivalent AlDy6Al4Cu2 cuboctahedra. All Cu–Al bond lengths are 2.72 Å. Al is bonded to six equivalent Dy, two equivalent Cu, and four equivalent Al atoms to form distorted AlDy6Al4Cu2 cuboctahedra that share corners with four equivalent CuDy6Al6 cuboctahedra, corners with fourteen equivalent AlDy6Al4Cu2 cuboctahedra, edges with six equivalent AlDy6Al4Cu2 cuboctahedra, faces with six equivalent CuDy6Al6 cuboctahedra, and faces with twelve equivalent AlDy6Al4Cu2 cuboctahedra. All Al–Al bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy6Al7Cu16 by Materials Project

Dy6Cu16Al7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight Cu and four equivalent Al atoms. There are four shorter (2.93 Å) and four longer (3.05 Å) Dy–Cu bond lengths. All Dy–Al bond lengths are 3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 7-coordinate geometry to three equivalent Dy, three equivalent Cu, and four Al atoms. All Cu–Cu bond lengths are 2.68 Å. There are one shorter (2.59 Å) and three longer (2.69 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Dy, six Cu, and three equivalent Al atoms. All Cu–Cu bond lengths are 2.67 Å. All Cu–Al bond lengths are 2.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. In the second Al site, Al is bonded to four equivalent Dy and eight Cu atoms to form a mixture of distorted corner and face-sharing AlDy4Cu8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlCu4 by Materials Project

DyCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.98 Å) and twelve longer (3.28 Å) Dy–Cu bond lengths. All Dy–Al bond lengths are 2.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Dy, six equivalent Cu, and three equivalent Al atoms to form CuDy3Al3Cu6 cuboctahedra that share corners with nine equivalent AlDy3Cu9 cuboctahedra, corners with twelve equivalent CuDy4Al2Cu6 cuboctahedra, edges with six equivalent CuDy3Al3Cu6 cuboctahedra, faces with three equivalent AlDy3Cu9 cuboctahedra, and faces with twenty CuDy3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.51 Å. All Cu–Al bond lengths are 2.98 Å. In the second Cu site, Cu is bonded to four equivalent Dy, six Cu, and two equivalent Al atoms to form distorted CuDy4Al2Cu6 cuboctahedra that share corners with four equivalent AlDy3Cu9 cuboctahedra, corners with twenty CuDy3Al3Cu6 cuboctahedra, edges with ten equivalent CuDy4Al2Cu6 cuboctahedra, faces with six equivalent AlDy3Cu9 cuboctahedra, and faces with sixteen CuDy3Al3Cu6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.59 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.52 Å. Al is bonded to three equivalent Dy and nine Cu atoms to form distorted AlDy3Cu9 cuboctahedra that share corners with twenty-one CuDy3Al3Cu6 cuboctahedra, edges with six equivalent AlDy3Cu9 cuboctahedra, faces with two equivalent AlDy3Cu9 cuboctahedra, and faces with twenty-one CuDy3Al3Cu6 cuboctahedra.

36 MATERIALS SCIENCE↗