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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd2AlCo2 by Materials Project

Nd2Co2Al crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Co atoms. There are four shorter (2.97 Å) and two longer (3.06 Å) Nd–Co bond lengths. Co is bonded in a 2-coordinate geometry to six equivalent Nd, one Co, and two equivalent Al atoms. The Co–Co bond length is 2.58 Å. Both Co–Al bond lengths are 2.52 Å. Al is bonded in a 12-coordinate geometry to four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(Al4Co)2 by Materials Project

NdCo2Al8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.14–3.36 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.34–2.57 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Co–Al bond distances ranging from 2.35–2.60 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Nd, two equivalent Co, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–3.02 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and three Al atoms. The Al–Al bond length is 2.69 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and two Al atoms. The Al–Al bond length is 2.71 Å. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two equivalent Co, and four equivalent Al atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to three Co atoms. In the sixth Al site, Al is bonded in a distorted linear geometry to two equivalent Nd, two Co, and six Al atoms. There are two shorter (2.82 Å) and two longer (2.86 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and six Al atoms. There are one shorter (2.65 Å) and one longer (2.71 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and five Al atoms. The Al–Al bond length is 2.64 Å. In the ninth Al site, Al is bonded in a 12-coordinate geometry to four equivalent Co and four Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2(Al3Co)3 by Materials Project

Nd2Co3Al9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Nd–Al bond distances ranging from 3.04–3.16 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.55–2.62 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.57–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Nd, three Co, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.72–2.89 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent Co, and six Al atoms. Both Al–Al bond lengths are 2.77 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Nd, three Co, and four Al atoms. Both Al–Al bond lengths are 2.96 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd, two equivalent Co, and six Al atoms. The Al–Al bond length is 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdAlCo4 by Materials Project

NdCo4Al crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Al atoms. There are a spread of Nd–Co bond distances ranging from 2.98–3.22 Å. There are one shorter (2.98 Å) and two longer (2.99 Å) Nd–Al bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Nd, six Co, and three equivalent Al atoms to form distorted CoNd3Al3Co6 cuboctahedra that share corners with twelve CoNd4Al2Co6 cuboctahedra, edges with six equivalent CoNd3Al3Co6 cuboctahedra, and faces with twenty CoNd3Al3Co6 cuboctahedra. All Co–Co bond lengths are 2.40 Å. There are one shorter (2.98 Å) and two longer (2.99 Å) Co–Al bond lengths. In the second Co site, Co is bonded to four equivalent Nd, six Co, and two equivalent Al atoms to form distorted CoNd4Al2Co6 cuboctahedra that share corners with twenty CoNd3Al3Co6 cuboctahedra, edges with ten CoNd4Al2Co6 cuboctahedra, and faces with sixteen CoNd3Al3Co6 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.65 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.45 Å. In the third Co site, Co is bonded to four equivalent Nd, six Co, and two equivalent Al atoms to form distorted CoNd4Al2Co6 cuboctahedra that share corners with twenty CoNd3Al3Co6 cuboctahedra, edges with ten CoNd4Al2Co6 cuboctahedra, and faces with sixteen CoNd3Al3Co6 cuboctahedra. Both Co–Al bond lengths are 2.45 Å. Al is bonded in a 12-coordinate geometry to three equivalent Nd and nine Co atoms.

36 MATERIALS SCIENCE↗