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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdAl3Ni2 by Materials Project

NdNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Ni and twelve equivalent Al atoms. All Nd–Ni bond lengths are 3.09 Å. All Nd–Al bond lengths are 3.34 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Al atoms. All Ni–Al bond lengths are 2.53 Å. Al is bonded to four equivalent Nd and four equivalent Ni atoms to form a mixture of distorted edge, face, and corner-sharing AlNd4Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdAlNi by Materials Project

NdNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.91 Å) and one longer (3.02 Å) Nd–Ni bond lengths. There are two shorter (3.21 Å) and four longer (3.28 Å) Nd–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 Nd 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 Nd and three equivalent Al atoms. All Ni–Al bond lengths are 2.86 Å. Al is bonded in a 12-coordinate geometry to six equivalent Nd, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdAl2Ni by Materials Project

NdNiAl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to three equivalent Ni and ten equivalent Al atoms. There are one shorter (2.98 Å) and two longer (3.20 Å) Nd–Ni bond lengths. There are a spread of Nd–Al bond distances ranging from 3.20–3.45 Å. Ni is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Al atoms. There are two shorter (2.44 Å) and four longer (2.50 Å) Ni–Al bond lengths. Al is bonded in a 3-coordinate geometry to five equivalent Nd and three equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2AlNi2 by Materials Project

Nd2Ni2Al crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Al atoms. There are two shorter (2.96 Å) and four longer (3.05 Å) Nd–Ni bond lengths. There are two shorter (3.28 Å) and two longer (3.32 Å) Nd–Al bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Al atoms. The Ni–Ni bond length is 2.56 Å. Both Ni–Al bond lengths are 2.58 Å. Al is bonded to eight equivalent Nd and four equivalent Ni atoms to form a mixture of distorted edge and face-sharing AlNd8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdAlNi4 by Materials Project

NdNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of Nd–Ni bond distances ranging from 2.83–3.20 Å. All Nd–Al bond lengths are 3.26 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Nd, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.49 Å. Both Ni–Al bond lengths are 2.47 Å. In the second Ni site, Ni is bonded to four equivalent Nd, six Ni, and two equivalent Al atoms to form a mixture of distorted edge, face, and corner-sharing NiNd4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.55 Å. Both Ni–Al bond lengths are 2.48 Å. Al is bonded in a 12-coordinate geometry to four equivalent Nd and eight Ni atoms.

36 MATERIALS SCIENCE↗