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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2AlNi9 by Materials Project

La2Ni9Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to sixteen Ni and two equivalent Al atoms. There are a spread of La–Ni bond distances ranging from 2.85–3.28 Å. Both La–Al bond lengths are 3.30 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La, five Ni, and one Al atom. There are two shorter (2.47 Å) and three longer (2.48 Å) Ni–Ni bond lengths. The Ni–Al bond length is 2.47 Å. In the second Ni site, Ni is bonded to four equivalent La and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiLa4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å. In the third Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent Al atoms to form distorted NiLa4Al2Ni6 cuboctahedra that share corners with sixteen NiLa4Ni8 cuboctahedra, edges with ten NiLa4Ni8 cuboctahedra, and faces with six NiLa4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Al bond lengths are 2.49 Å. In the fourth Ni site, Ni is bonded to four equivalent La and eight Ni atoms to form NiLa4Ni8 cuboctahedra that share corners with twelve NiLa4Al2Ni6 cuboctahedra, edges with six NiLa4Al2Ni6 cuboctahedra, and faces with ten NiLa4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Al is bonded in a 12-coordinate geometry to four equivalent La and eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5Al3Ni2 by Materials Project

La5Ni2Al3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to two equivalent Ni and five Al atoms. Both La–Ni bond lengths are 2.96 Å. There are a spread of La–Al bond distances ranging from 3.24–3.46 Å. In the second La site, La is bonded in a 3-coordinate geometry to five Al atoms. There are a spread of La–Al bond distances ranging from 3.25–3.71 Å. In the third La site, La is bonded in a 2-coordinate geometry to two equivalent Ni and four equivalent Al atoms. Both La–Ni bond lengths are 2.77 Å. All La–Al bond lengths are 3.44 Å. Ni is bonded in a 6-coordinate geometry to three La and three Al atoms. There are one shorter (2.46 Å) and two longer (2.49 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to six La and two equivalent Ni atoms. In the second Al site, Al is bonded in a 5-coordinate geometry to nine La and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAlNi4 by Materials Project

LaNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of La–Ni bond distances ranging from 2.83–3.21 Å. All La–Al bond lengths are 3.28 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent La, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.50 Å. Both Ni–Al bond lengths are 2.47 Å. In the second Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing NiLa4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å. Both Ni–Al bond lengths are 2.49 Å. Al is bonded in a 12-coordinate geometry to four equivalent La and eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAl5Ni2 by Materials Project

LaNi2Al5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Ni and fourteen Al atoms. All La–Ni bond lengths are 3.23 Å. There are eight shorter (3.36 Å) and six longer (3.54 Å) La–Al bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent La and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.29–2.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent La and two equivalent Ni atoms. In the second Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent La and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAlNi4 by Materials Project

LaNi4Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Al atoms. There are a spread of La–Ni bond distances ranging from 2.98–3.23 Å. There are two shorter (2.98 Å) and one longer (2.99 Å) La–Al bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent La, six Ni, and three equivalent Al atoms to form distorted NiLa3Al3Ni6 cuboctahedra that share corners with twelve NiLa4Al2Ni6 cuboctahedra, edges with six equivalent NiLa3Al3Ni6 cuboctahedra, and faces with twenty NiLa3Al3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.43 Å. There are two shorter (2.98 Å) and one longer (2.99 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent Al atoms to form distorted NiLa4Al2Ni6 cuboctahedra that share corners with twenty NiLa3Al3Ni6 cuboctahedra, edges with ten NiLa4Al2Ni6 cuboctahedra, and faces with sixteen NiLa3Al3Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.55–2.62 Å. Both Ni–Al bond lengths are 2.45 Å. In the third Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent Al atoms to form distorted NiLa4Al2Ni6 cuboctahedra that share corners with twenty NiLa3Al3Ni6 cuboctahedra, edges with ten NiLa4Al2Ni6 cuboctahedra, and faces with sixteen NiLa3Al3Ni6 cuboctahedra. Both Ni–Al bond lengths are 2.46 Å. Al is bonded in a 12-coordinate geometry to three equivalent La and nine Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaAl3Ni2 by Materials Project

LaNi2Al3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 7-coordinate geometry to two equivalent La, eight equivalent Ni, and eleven Al atoms. Both La–La bond lengths are 3.51 Å. There are four shorter (3.52 Å) and four longer (3.63 Å) La–Ni bond lengths. There are a spread of La–Al bond distances ranging from 3.18–3.55 Å. Ni is bonded in a 6-coordinate geometry to four equivalent La and six Al atoms. There are a spread of Ni–Al bond distances ranging from 2.40–2.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to three equivalent La, four equivalent Ni, and four Al atoms. There are two shorter (2.64 Å) and two longer (2.73 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to four equivalent La, four equivalent Ni, and one Al atom.

36 MATERIALS SCIENCE↗