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Materials Data on LuAl4Ni by Materials Project

LuNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Lu–Ni bond lengths are 3.04 Å. There are a spread of Lu–Al bond distances ranging from 2.96–3.41 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Lu 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 Lu and six Al atoms. There are four shorter (2.84 Å) and two longer (2.86 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Lu, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Lu, three equivalent Ni, and one Al atom.

36 MATERIALS SCIENCE↗

Materials Data on LuAl2Ni by Materials Project

LuNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.76 Å) and two longer (2.97 Å) Lu–Ni bond lengths. There are a spread of Lu–Al bond distances ranging from 3.02–3.22 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Al atoms. There are two shorter (2.47 Å) and four longer (2.50 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Lu and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu2AlNi2 by Materials Project

Lu2Ni2Al crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Lu is bonded in a 10-coordinate geometry to six equivalent Ni atoms. There are two shorter (2.82 Å) and four longer (2.90 Å) Lu–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Lu, 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↗

Materials Data on Lu3AlNi8 by Materials Project

Lu3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to nine equivalent Ni and three equivalent Al atoms. There are six shorter (2.81 Å) and three longer (3.03 Å) Lu–Ni bond lengths. All Lu–Al bond lengths are 2.97 Å. In the second Lu site, Lu is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.88 Å) and twelve longer (3.19 Å) Lu–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to five Lu, six Ni, and one Al atom to form distorted NiLu5AlNi6 cuboctahedra that share corners with two equivalent AlLu6Ni6 cuboctahedra, corners with fifteen equivalent NiLu5AlNi6 cuboctahedra, edges with eight equivalent NiLu5AlNi6 cuboctahedra, faces with three equivalent AlLu6Ni6 cuboctahedra, and faces with eleven equivalent NiLu5AlNi6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.54 Å. The Ni–Al bond length is 2.46 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Ni atoms. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Ni atoms. Al is bonded to six equivalent Lu and six equivalent Ni atoms to form distorted AlLu6Ni6 cuboctahedra that share corners with twelve equivalent NiLu5AlNi6 cuboctahedra, edges with six equivalent AlLu6Ni6 cuboctahedra, and faces with eighteen equivalent NiLu5AlNi6 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on LuAl3Ni2 by Materials Project

LuNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Lu–Ni bond lengths are 2.83 Å. In the second Lu site, Lu is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Lu–Ni bond lengths are 3.08 Å. There are six shorter (3.16 Å) and six longer (3.27 Å) Lu–Al bond lengths. Ni is bonded in a 9-coordinate geometry to three Lu and six Al atoms. All Ni–Al bond lengths are 2.47 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ni atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Lu and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗