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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Dy3(AlNi3)2 by Materials Project

Dy3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.78 Å) and four longer (3.01 Å) Dy–Ni bond lengths. All Dy–Al bond lengths are 3.17 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Dy, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.57 Å. Both Ni–Al bond lengths are 2.47 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Dy and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlNi by Materials Project

NiAlDy crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.86 Å) and one longer (2.89 Å) Dy–Ni bond lengths. There are two shorter (3.11 Å) and four longer (3.18 Å) Dy–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Al atoms. All Ni–Al bond lengths are 2.55 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Al atoms. All Ni–Al bond lengths are 2.72 Å. Al is bonded in a 12-coordinate geometry to six equivalent Dy, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.82 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAl4Ni by Materials Project

DyNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Dy–Ni bond lengths are 3.15 Å. There are a spread of Dy–Al bond distances ranging from 2.99–3.37 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Dy and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.32–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to four equivalent Dy and six Al atoms. There are four shorter (2.87 Å) and two longer (2.93 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Dy, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy, three equivalent Ni, and one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAl2Ni by Materials Project

DyNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.80 Å) and two longer (3.03 Å) Dy–Ni bond lengths. There are a spread of Dy–Al bond distances ranging from 3.04–3.27 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Al atoms. There are two shorter (2.46 Å) and four longer (2.49 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Dy and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3AlNi8 by Materials Project

Dy3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to nine equivalent Ni and three equivalent Al atoms. There are six shorter (2.84 Å) and three longer (3.08 Å) Dy–Ni bond lengths. All Dy–Al bond lengths are 3.01 Å. In the second Dy site, Dy is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.92 Å) and twelve longer (3.22 Å) Dy–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Dy, six Ni, and one Al atom to form distorted NiDy5AlNi6 cuboctahedra that share corners with two equivalent AlDy6Ni6 cuboctahedra, corners with fifteen equivalent NiDy5AlNi6 cuboctahedra, edges with eight equivalent NiDy5AlNi6 cuboctahedra, faces with three equivalent AlDy6Ni6 cuboctahedra, and faces with eleven equivalent NiDy5AlNi6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.46–2.57 Å. The Ni–Al bond length is 2.49 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Ni atoms. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and six equivalent Ni atoms. Al is bonded to six equivalent Dy and six equivalent Ni atoms to form distorted AlDy6Ni6 cuboctahedra that share corners with twelve equivalent NiDy5AlNi6 cuboctahedra, edges with six equivalent AlDy6Ni6 cuboctahedra, and faces with eighteen equivalent NiDy5AlNi6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlNi4 by Materials Project

DyNi4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Al atoms. There are three shorter (2.91 Å) and twelve longer (3.17 Å) Dy–Ni bond lengths. All Dy–Al bond lengths are 2.91 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Dy, six equivalent Ni, and three equivalent Al atoms to form NiDy3Al3Ni6 cuboctahedra that share corners with nine equivalent AlDy3Ni9 cuboctahedra, corners with twelve equivalent NiDy4Al2Ni6 cuboctahedra, edges with six equivalent NiDy3Al3Ni6 cuboctahedra, faces with three equivalent AlDy3Ni9 cuboctahedra, and faces with twenty NiDy3Al3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.40 Å. All Ni–Al bond lengths are 2.91 Å. In the second Ni site, Ni is bonded to four equivalent Dy, six Ni, and two equivalent Al atoms to form distorted NiDy4Al2Ni6 cuboctahedra that share corners with four equivalent AlDy3Ni9 cuboctahedra, corners with twenty NiDy3Al3Ni6 cuboctahedra, edges with ten equivalent NiDy4Al2Ni6 cuboctahedra, faces with six equivalent AlDy3Ni9 cuboctahedra, and faces with sixteen NiDy3Al3Ni6 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.55 Å) Ni–Ni bond lengths. Both Ni–Al bond lengths are 2.43 Å. Al is bonded to three equivalent Dy and nine Ni atoms to form distorted AlDy3Ni9 cuboctahedra that share corners with twenty-one NiDy3Al3Ni6 cuboctahedra, edges with six equivalent AlDy3Ni9 cuboctahedra, faces with two equivalent AlDy3Ni9 cuboctahedra, and faces with twenty-one NiDy3Al3Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlNi4 by Materials Project

DyNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of Dy–Ni bond distances ranging from 2.81–3.17 Å. All Dy–Al bond lengths are 3.21 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy, seven Ni, and two equivalent Al atoms. There are a spread of Ni–Ni bond distances ranging from 2.47–2.87 Å. Both Ni–Al bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent Dy, six Ni, and two equivalent Al atoms to form a mixture of distorted edge, face, and corner-sharing NiDy4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.50 Å. Both Ni–Al bond lengths are 2.45 Å. Al is bonded in a 12-coordinate geometry to four equivalent Dy and eight Ni atoms.

36 MATERIALS SCIENCE↗