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8 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoAl2Ni by Materials Project

HoNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.81 Å) and two longer (3.03 Å) Ho–Ni bond lengths. There are a spread of Ho–Al bond distances ranging from 3.06–3.28 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Al atoms. There are two shorter (2.46 Å) and four longer (2.51 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Ho and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAl4Ni by Materials Project

HoNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Ho–Ni bond lengths are 3.13 Å. There are a spread of Ho–Al bond distances ranging from 2.98–3.38 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Ho 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 Ho and six Al atoms. There are four shorter (2.86 Å) and two longer (2.91 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Ho, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ho, three equivalent Ni, and one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAlNi by Materials Project

HoNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.85 Å) and one longer (2.88 Å) Ho–Ni bond lengths. There are two shorter (3.09 Å) and four longer (3.17 Å) Ho–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 Ho and six equivalent Al atoms. All Ni–Al bond lengths are 2.54 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Al atoms. All Ni–Al bond lengths are 2.71 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ho, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.82 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(AlNi3)2 by Materials Project

Ho3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.77 Å) and four longer (3.00 Å) Ho–Ni bond lengths. All Ho–Al bond lengths are 3.16 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Ho, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Al bond lengths are 2.46 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Ho and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3AlNi8 by Materials Project

Ho3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to nine equivalent Ni and three equivalent Al atoms. There are six shorter (2.82 Å) and three longer (3.06 Å) Ho–Ni bond lengths. All Ho–Al bond lengths are 3.00 Å. In the second Ho site, Ho is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.91 Å) and twelve longer (3.21 Å) Ho–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Ho, six Ni, and one Al atom to form distorted NiHo5AlNi6 cuboctahedra that share corners with two equivalent AlHo6Ni6 cuboctahedra, corners with fifteen equivalent NiHo5AlNi6 cuboctahedra, edges with eight equivalent NiHo5AlNi6 cuboctahedra, faces with three equivalent AlHo6Ni6 cuboctahedra, and faces with eleven equivalent NiHo5AlNi6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.45–2.56 Å. The Ni–Al bond length is 2.48 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Ni atoms. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Ni atoms. Al is bonded to six equivalent Ho and six equivalent Ni atoms to form distorted AlHo6Ni6 cuboctahedra that share corners with twelve equivalent NiHo5AlNi6 cuboctahedra, edges with six equivalent AlHo6Ni6 cuboctahedra, and faces with eighteen equivalent NiHo5AlNi6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAlNi4 by Materials Project

HoNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.78–3.16 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho, seven Ni, and two equivalent Al atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.86 Å. Both Ni–Al bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent Ho, six Ni, and two equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing NiHo4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.50 Å. Both Ni–Al bond lengths are 2.43 Å. Al is bonded in a 12-coordinate geometry to eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAl3Ni2 by Materials Project

Ni2Al3Ho crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Ho–Ni bond lengths are 3.10 Å. There are six shorter (3.16 Å) and six longer (3.27 Å) Ho–Al bond lengths. In the second Ho site, Ho is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Ho–Ni bond lengths are 2.81 Å. Ni is bonded in a 9-coordinate geometry to three Ho and six Al atoms. There are four shorter (2.46 Å) and two longer (2.48 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent Ni atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ho and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAlNi4 by Materials Project

HoNi4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ho is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Al atoms. There are three shorter (2.90 Å) and twelve longer (3.16 Å) Ho–Ni bond lengths. All Ho–Al bond lengths are 2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Ho, six equivalent Ni, and three equivalent Al atoms to form NiHo3Al3Ni6 cuboctahedra that share corners with nine equivalent AlHo3Ni9 cuboctahedra, corners with twelve equivalent NiHo4Al2Ni6 cuboctahedra, edges with six equivalent NiHo3Al3Ni6 cuboctahedra, faces with three equivalent AlHo3Ni9 cuboctahedra, and faces with twenty NiHo3Al3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.40 Å. All Ni–Al bond lengths are 2.90 Å. In the second Ni site, Ni is bonded to four equivalent Ho, six Ni, and two equivalent Al atoms to form distorted NiHo4Al2Ni6 cuboctahedra that share corners with four equivalent AlHo3Ni9 cuboctahedra, corners with twenty NiHo3Al3Ni6 cuboctahedra, edges with ten equivalent NiHo4Al2Ni6 cuboctahedra, faces with six equivalent AlHo3Ni9 cuboctahedra, and faces with sixteen NiHo3Al3Ni6 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.54 Å) Ni–Ni bond lengths. Both Ni–Al bond lengths are 2.42 Å. Al is bonded to three equivalent Ho and nine Ni atoms to form distorted AlHo3Ni9 cuboctahedra that share corners with twenty-one NiHo3Al3Ni6 cuboctahedra, edges with six equivalent AlHo3Ni9 cuboctahedra, faces with two equivalent AlHo3Ni9 cuboctahedra, and faces with twenty-one NiHo3Al3Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗