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11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmAl2Ni by Materials Project

TmNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.78 Å) and two longer (3.00 Å) Tm–Ni bond lengths. There are a spread of Tm–Al bond distances ranging from 3.04–3.25 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Tm 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 Tm and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAl4Ni by Materials Project

TmNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Tm–Ni bond lengths are 3.07 Å. There are a spread of Tm–Al bond distances ranging from 2.97–3.40 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Tm and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.33–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to four equivalent Tm and six Al atoms. There are four shorter (2.85 Å) and two longer (2.88 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Tm, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tm, three equivalent Ni, and one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAlNi4 by Materials Project

TmNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to fourteen Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.78–3.15 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tm, seven Ni, and two equivalent Al atoms. There are a spread of Ni–Ni bond distances ranging from 2.46–2.85 Å. Both Ni–Al bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent Tm, six Ni, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing NiTm4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.49 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 Tm3AlNi8 by Materials Project

Tm3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm 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 (3.05 Å) Tm–Ni bond lengths. All Tm–Al bond lengths are 2.99 Å. In the second Tm site, Tm is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.90 Å) and twelve longer (3.21 Å) Tm–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Tm, six Ni, and one Al atom to form distorted NiTm5AlNi6 cuboctahedra that share corners with two equivalent AlTm6Ni6 cuboctahedra, corners with fifteen equivalent NiTm5AlNi6 cuboctahedra, edges with eight equivalent NiTm5AlNi6 cuboctahedra, faces with three equivalent AlTm6Ni6 cuboctahedra, and faces with eleven equivalent NiTm5AlNi6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.45–2.55 Å. The Ni–Al bond length is 2.47 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Ni atoms. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Ni atoms. Al is bonded to six equivalent Tm and six equivalent Ni atoms to form distorted AlTm6Ni6 cuboctahedra that share corners with twelve equivalent NiTm5AlNi6 cuboctahedra, edges with six equivalent AlTm6Ni6 cuboctahedra, and faces with eighteen equivalent NiTm5AlNi6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAlNi by Materials Project

Tm(NiAl) crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Tm, five Ni, and seven Al atoms. There are two shorter (3.21 Å) and one longer (3.23 Å) Tm–Tm bond lengths. There are three shorter (2.90 Å) and two longer (3.19 Å) Tm–Ni bond lengths. There are a spread of Tm–Al bond distances ranging from 3.09–3.18 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four Tm, seven Ni, and five Al atoms. The Tm–Tm bond length is 2.97 Å. There are a spread of Tm–Ni bond distances ranging from 3.01–3.11 Å. There are a spread of Tm–Al bond distances ranging from 3.01–3.15 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to six Tm and six Al atoms to form NiTm6Al6 cuboctahedra that share corners with four equivalent AlTm6Al2Ni4 cuboctahedra, corners with fourteen NiTm6Al6 cuboctahedra, edges with six NiTm6Al6 cuboctahedra, faces with four equivalent NiTm6Al2Ni4 cuboctahedra, and faces with fourteen AlTm6Al2Ni4 cuboctahedra. There are a spread of Ni–Al bond distances ranging from 2.60–2.68 Å. In the second Ni site, Ni is bonded to six Tm, four Ni, and two equivalent Al atoms to form distorted NiTm6Al2Ni4 cuboctahedra that share corners with eight NiTm6Al6 cuboctahedra, corners with ten AlTm6Al2Ni4 cuboctahedra, edges with two equivalent NiTm6Al2Ni4 cuboctahedra, edges with four equivalent AlTm6Al4Ni2 cuboctahedra, faces with eight AlTm6Al2Ni4 cuboctahedra, and faces with ten NiTm6Al6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.61–2.73 Å. Both Ni–Al bond lengths are 2.52 Å. In the third Ni site, Ni is bonded to six Tm, four equivalent Ni, and two equivalent Al atoms to form distorted NiTm6Al2Ni4 cuboctahedra that share corners with six NiTm6Al6 cuboctahedra, corners with twelve AlTm6Al2Ni4 cuboctahedra, edges with six NiTm6Al6 cuboctahedra, faces with eight equivalent NiTm6Al2Ni4 cuboctahedra, and faces with ten AlTm6Al2Ni4 cuboctahedra. Both Ni–Al bond lengths are 2.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to six Tm, four Ni, and two equivalent Al atoms to form distorted AlTm6Al2Ni4 cuboctahedra that share corners with four equivalent AlTm6Al4Ni2 cuboctahedra, corners with eight NiTm6Al6 cuboctahedra, edges with six equivalent AlTm6Al2Ni4 cuboctahedra, faces with eight AlTm6Al2Ni4 cuboctahedra, and faces with twelve NiTm6Al6 cuboctahedra. Both Al–Al bond lengths are 2.73 Å. In the second Al site, Al is bonded to six Tm, two equivalent Ni, and four Al atoms to form distorted AlTm6Al4Ni2 cuboctahedra that share corners with eight AlTm6Al2Ni4 cuboctahedra, corners with ten NiTm6Al2Ni4 cuboctahedra, edges with two equivalent AlTm6Al4Ni2 cuboctahedra, edges with four equivalent NiTm6Al2Ni4 cuboctahedra, faces with eight NiTm6Al6 cuboctahedra, and faces with ten AlTm6Al2Ni4 cuboctahedra. There are one shorter (2.63 Å) and one longer (2.72 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2AlNi2 by Materials Project

Tm2Ni2Al crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to six equivalent Ni atoms. There are two shorter (2.85 Å) and four longer (2.91 Å) Tm–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Tm, one Ni, and two equivalent Al atoms. The Ni–Ni bond length is 2.45 Å. Both Ni–Al bond lengths are 2.51 Å. Al is bonded to four equivalent Ni atoms to form distorted edge-sharing AlNi4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(AlNi3)2 by Materials Project

Tm3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm 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 (2.98 Å) Tm–Ni bond lengths. All Tm–Al bond lengths are 3.16 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Al bond lengths are 2.45 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Tm and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3AlNi8 by Materials Project

Tm3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of Tm–Ni bond distances ranging from 2.85–3.03 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Al atoms. There are three shorter (2.89 Å) and twelve longer (3.19 Å) Tm–Ni bond lengths. All Tm–Al bond lengths are 2.89 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Tm, six Ni, and one Al atom to form distorted NiTm5AlNi6 cuboctahedra that share corners with two equivalent AlTm3Ni9 cuboctahedra, corners with nineteen NiTm5AlNi6 cuboctahedra, edges with eight equivalent NiTm5AlNi6 cuboctahedra, faces with three equivalent AlTm3Ni9 cuboctahedra, and faces with seventeen NiTm5AlNi6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.45–2.52 Å. The Ni–Al bond length is 2.44 Å. In the second Ni site, Ni is bonded to three equivalent Tm, six equivalent Ni, and three equivalent Al atoms to form NiTm3Al3Ni6 cuboctahedra that share corners with three equivalent AlTm3Ni9 cuboctahedra, corners with twelve equivalent NiTm5AlNi6 cuboctahedra, edges with six equivalent NiTm3Al3Ni6 cuboctahedra, faces with three equivalent AlTm3Ni9 cuboctahedra, and faces with twenty NiTm5AlNi6 cuboctahedra. All Ni–Al bond lengths are 2.89 Å. In the third Ni site, Ni is bonded to six equivalent Tm and six equivalent Ni atoms to form NiTm6Ni6 cuboctahedra that share corners with six equivalent AlTm3Ni9 cuboctahedra, corners with twelve equivalent NiTm5AlNi6 cuboctahedra, edges with six equivalent NiTm6Ni6 cuboctahedra, and faces with twenty NiTm5AlNi6 cuboctahedra. Al is bonded to three equivalent Tm and nine Ni atoms to form distorted AlTm3Ni9 cuboctahedra that share corners with twenty-one NiTm5AlNi6 cuboctahedra, edges with six equivalent AlTm3Ni9 cuboctahedra, and faces with twenty-one NiTm5AlNi6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAl3Ni2 by Materials Project

TmNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Tm–Ni bond lengths are 2.81 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Tm–Ni bond lengths are 3.09 Å. There are six shorter (3.16 Å) and six longer (3.26 Å) Tm–Al bond lengths. Ni is bonded in a 9-coordinate geometry to three Tm and six Al atoms. There are four shorter (2.45 Å) and two longer (2.47 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 Tm and four equivalent Ni atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Tm and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAlNi4 by Materials Project

TmNi4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm 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 (3.17 Å) Tm–Ni bond lengths. All Tm–Al bond lengths are 2.90 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Tm, six equivalent Ni, and three equivalent Al atoms to form NiTm3Al3Ni6 cuboctahedra that share corners with nine equivalent AlTm3Ni9 cuboctahedra, corners with twelve equivalent NiTm4Al2Ni6 cuboctahedra, edges with six equivalent NiTm3Al3Ni6 cuboctahedra, faces with three equivalent AlTm3Ni9 cuboctahedra, and faces with twenty NiTm3Al3Ni6 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 Tm, six Ni, and two equivalent Al atoms to form distorted NiTm4Al2Ni6 cuboctahedra that share corners with four equivalent AlTm3Ni9 cuboctahedra, corners with twenty NiTm3Al3Ni6 cuboctahedra, edges with ten equivalent NiTm4Al2Ni6 cuboctahedra, faces with six equivalent AlTm3Ni9 cuboctahedra, and faces with sixteen NiTm3Al3Ni6 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 Tm and nine Ni atoms to form distorted AlTm3Ni9 cuboctahedra that share corners with twenty-one NiTm3Al3Ni6 cuboctahedra, edges with six equivalent AlTm3Ni9 cuboctahedra, faces with two equivalent AlTm3Ni9 cuboctahedra, and faces with twenty-one NiTm3Al3Ni6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAlNi by Materials Project

Tm(NiAl) crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.82 Å) and one longer (2.88 Å) Tm–Ni bond lengths. There are two shorter (3.05 Å) and four longer (3.14 Å) Tm–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 Tm and six equivalent Al atoms. All Ni–Al bond lengths are 2.52 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Al atoms. All Ni–Al bond lengths are 2.69 Å. Al is bonded in a 12-coordinate geometry to six equivalent Tm, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗