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Materials Data on Gd(Al3Ni)3 by Materials Project

GdNi3Al9 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six equivalent Ni and eleven Al atoms. There are three shorter (3.29 Å) and three longer (3.30 Å) Gd–Ni bond lengths. There are a spread of Gd–Al bond distances ranging from 3.00–3.17 Å. Ni is bonded in a 8-coordinate geometry to two equivalent Gd and eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.33–2.63 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Gd, three equivalent Ni, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.77–2.84 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd, two equivalent Ni, and six Al atoms. There are two shorter (2.63 Å) and four longer (2.81 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a linear geometry to two equivalent Ni and six Al atoms. There are two shorter (2.81 Å) and two longer (2.84 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two equivalent Gd, three equivalent Ni, and five Al atoms. There are one shorter (2.71 Å) and one longer (2.78 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni and seven Al atoms. The Al–Al bond length is 2.87 Å. In the sixth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Gd, three equivalent Ni, and seven Al atoms.

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Materials Data on Gd3(AlNi3)2 by Materials Project

Gd3Ni6Al2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.81 Å) and four longer (3.01 Å) Gd–Ni bond lengths. All Gd–Al bond lengths are 3.19 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Gd, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.59 Å. Both Ni–Al bond lengths are 2.48 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Gd and six equivalent Ni atoms.

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Materials Data on Gd2AlNi2 by Materials Project

AlGd2Ni2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to six equivalent Ni atoms. There are a spread of Gd–Ni bond distances ranging from 2.89–3.00 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Gd, one Ni, and two equivalent Al atoms. The Ni–Ni bond length is 2.52 Å. There are one shorter (2.55 Å) and one longer (2.56 Å) Ni–Al bond lengths. Al is bonded to four equivalent Ni atoms to form distorted edge-sharing AlNi4 cuboctahedra.

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Materials Data on GdAlNi4 by Materials Project

GdNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of Gd–Ni bond distances ranging from 2.81–3.18 Å. All Gd–Al bond lengths are 3.23 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.48 Å. Both Ni–Al bond lengths are 2.46 Å. In the second Ni site, Ni is bonded to four equivalent Gd, six Ni, and two equivalent Al atoms to form a mixture of distorted edge, face, and corner-sharing NiGd4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. Both Ni–Al bond lengths are 2.46 Å. Al is bonded in a 12-coordinate geometry to four equivalent Gd and eight Ni atoms.

36 MATERIALS SCIENCE↗

Materials Data on GdAl4Ni by Materials Project

GdNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 9-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Gd–Ni bond lengths are 3.24 Å. There are a spread of Gd–Al bond distances ranging from 2.98–3.32 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Gd and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.49 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four equivalent Gd and six Al atoms. There are four shorter (2.88 Å) and two longer (2.97 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Gd, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Gd, three equivalent Ni, and one Al atom.

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Materials Data on GdAlNi by Materials Project

GdNiAl crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 11-coordinate geometry to five Ni and six Al atoms. There are four shorter (2.87 Å) and one longer (2.98 Å) Gd–Ni bond lengths. There are two shorter (3.13 Å) and four longer (3.22 Å) Gd–Al bond lengths. In the second Gd site, Gd is bonded in a 11-coordinate geometry to five Ni and six Al atoms. There are four shorter (2.86 Å) and one longer (2.97 Å) Gd–Ni bond lengths. There are two shorter (3.13 Å) and four longer (3.22 Å) Gd–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three Gd and six Al atoms. All Ni–Al bond lengths are 2.53 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Gd and three Al atoms. There are one shorter (2.78 Å) and two longer (2.80 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 six Gd, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.86 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to six Gd, four Ni, and two Al atoms. The Al–Al bond length is 2.86 Å.

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Materials Data on GdAlNi4 by Materials Project

GdNi4Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to fifteen Ni and three equivalent Al atoms. There are a spread of Gd–Ni bond distances ranging from 2.88–3.14 Å. There are one shorter (2.88 Å) and two longer (2.89 Å) Gd–Al bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Gd, six Ni, and three equivalent Al atoms to form NiGd3Al3Ni6 cuboctahedra that share corners with nine equivalent AlGd3Ni9 cuboctahedra, corners with twelve NiGd4Al2Ni6 cuboctahedra, edges with six equivalent NiGd3Al3Ni6 cuboctahedra, faces with three equivalent AlGd3Ni9 cuboctahedra, and faces with twenty NiGd3Al3Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.37 Å. There are one shorter (2.88 Å) and two longer (2.89 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded to four equivalent Gd, six Ni, and two equivalent Al atoms to form distorted NiGd4Al2Ni6 cuboctahedra that share corners with four equivalent AlGd3Ni9 cuboctahedra, corners with twenty NiGd3Al3Ni6 cuboctahedra, edges with ten NiGd4Al2Ni6 cuboctahedra, faces with six equivalent AlGd3Ni9 cuboctahedra, and faces with sixteen NiGd3Al3Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.47–2.54 Å. Both Ni–Al bond lengths are 2.39 Å. In the third Ni site, Ni is bonded to four equivalent Gd, six Ni, and two equivalent Al atoms to form distorted NiGd4Al2Ni6 cuboctahedra that share corners with four equivalent AlGd3Ni9 cuboctahedra, corners with twenty NiGd3Al3Ni6 cuboctahedra, edges with ten NiGd4Al2Ni6 cuboctahedra, faces with six equivalent AlGd3Ni9 cuboctahedra, and faces with sixteen NiGd3Al3Ni6 cuboctahedra. Both Ni–Al bond lengths are 2.39 Å. Al is bonded to three equivalent Gd and nine Ni atoms to form distorted AlGd3Ni9 cuboctahedra that share corners with twenty-one NiGd3Al3Ni6 cuboctahedra, edges with six equivalent AlGd3Ni9 cuboctahedra, faces with two equivalent AlGd3Ni9 cuboctahedra, and faces with twenty-one NiGd3Al3Ni6 cuboctahedra.

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