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Materials Data on Nd2Co17 by Materials Project

Nd2Co17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Nd–Co bond distances ranging from 3.02–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Nd and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.66 Å. In the second Co site, Co is bonded to two equivalent Nd and ten Co atoms to form CoNd2Co10 cuboctahedra that share corners with fourteen CoNd2Co10 cuboctahedra, edges with six equivalent CoNd3Co9 cuboctahedra, and faces with ten CoNd2Co10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the fourth Co site, Co is bonded to three equivalent Nd and nine Co atoms to form a mixture of edge, corner, and face-sharing CoNd3Co9 cuboctahedra. Both Co–Co bond lengths are 2.48 Å.

36 MATERIALS SCIENCE↗

Materials Data on NdCo2 by Materials Project

NdCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Nd–Co bond lengths are 3.02 Å. Co is bonded to six equivalent Nd and six equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoNd6Co6 cuboctahedra. All Co–Co bond lengths are 2.57 Å.

36 MATERIALS SCIENCE↗

Materials Data on NdCo5 by Materials Project

NdCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.90 Å) and twelve longer (3.19 Å) Nd–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded to four equivalent Nd and eight Co atoms to form a mixture of face, edge, and corner-sharing CoNd4Co8 cuboctahedra. All Co–Co bond lengths are 2.51 Å.

36 MATERIALS SCIENCE↗

Materials Data on Nd7Co3 by Materials Project

Nd7Co3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Co atoms. All Nd–Co bond lengths are 2.84 Å. In the second Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Co atoms. There are two shorter (2.83 Å) and one longer (3.01 Å) Nd–Co bond lengths. In the third Nd site, Nd is bonded in a distorted water-like geometry to two equivalent Co atoms. Both Nd–Co bond lengths are 2.79 Å. Co is bonded in a 6-coordinate geometry to six Nd atoms.

36 MATERIALS SCIENCE↗

Materials Data on Nd4Co by Materials Project

Nd4Co is Iron carbide-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of four Nd4Co clusters. Nd is bonded in a single-bond geometry to one Co atom. The Nd–Co bond length is 2.55 Å. Co is bonded in a tetrahedral geometry to four equivalent Nd atoms.

36 MATERIALS SCIENCE↗

Materials Data on Nd3Co by Materials Project

Nd3Co is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Nd3Co sheets oriented in the (0, 0, 1) direction. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.77 Å) and one longer (2.91 Å) Nd–Co bond lengths. In the second Nd site, Nd is bonded in a distorted water-like geometry to two equivalent Co atoms. There are one shorter (2.78 Å) and one longer (2.89 Å) Nd–Co bond lengths. Co is bonded in a 6-coordinate geometry to six Nd atoms.

36 MATERIALS SCIENCE↗

Materials Data on NdCo3 by Materials Project

NdCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Nd–Co bond distances ranging from 2.93–3.19 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.20 Å) Nd–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Nd and seven Co atoms to form a mixture of face, edge, and corner-sharing CoNd5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.60 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Nd and six equivalent Co atoms to form CoNd6Co6 cuboctahedra that share corners with twelve equivalent CoNd5Co7 cuboctahedra, edges with six equivalent CoNd6Co6 cuboctahedra, and faces with eighteen equivalent CoNd5Co7 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Nd2Co3 by Materials Project

Nd2Co3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to ten Co atoms. There are a spread of Nd–Co bond distances ranging from 2.93–3.55 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to eight equivalent Nd and four equivalent Co atoms to form a mixture of distorted corner, edge, and face-sharing CoNd8Co4 cuboctahedra. All Co–Co bond lengths are 2.41 Å. In the second Co site, Co is bonded in a distorted q6 geometry to six equivalent Nd and four Co atoms. Both Co–Co bond lengths are 2.45 Å.

36 MATERIALS SCIENCE↗

Materials Data on Nd2Co by Materials Project

Nd2Co is Cubic Laves structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Nd is bonded to six equivalent Nd and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing NdNd6Co6 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.10–3.14 Å. There are a spread of Nd–Co bond distances ranging from 3.63–3.69 Å. Co is bonded in a 12-coordinate geometry to twelve equivalent Nd atoms.

36 MATERIALS SCIENCE↗

Materials Data on Nd5Co2 by Materials Project

Co2Nd5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.71 Å) and one longer (2.85 Å) Nd–Co bond lengths. In the second Nd site, Nd is bonded to four equivalent Co atoms to form distorted edge-sharing NdCo4 tetrahedra. There are two shorter (2.92 Å) and two longer (2.98 Å) Nd–Co bond lengths. In the third Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Co atoms. There are a spread of Nd–Co bond distances ranging from 2.80–3.23 Å. Co is bonded in a 7-coordinate geometry to seven Nd atoms.

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