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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd12Co6Sn by Materials Project

Nd12Co6Sn crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd is bonded in a 3-coordinate geometry to three equivalent Co and one Sn atom. There are one shorter (2.77 Å) and two longer (2.96 Å) Nd–Co bond lengths. The Nd–Sn bond length is 3.62 Å. Co is bonded in a 2-coordinate geometry to six equivalent Nd and one Co atom. The Co–Co bond length is 2.22 Å. Sn is bonded in a cuboctahedral geometry to twelve equivalent Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd6Co2Sn by Materials Project

Nd6Co2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to two Co and two Sn atoms. There are one shorter (2.82 Å) and one longer (3.43 Å) Nd–Co bond lengths. There are one shorter (3.17 Å) and one longer (3.48 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 5-coordinate geometry to three Co and two Sn atoms. There are two shorter (2.98 Å) and one longer (3.23 Å) Nd–Co bond lengths. There are one shorter (3.33 Å) and one longer (3.79 Å) Nd–Sn bond lengths. In the third Nd site, Nd is bonded in a 4-coordinate geometry to three Co and one Sn atom. There are one shorter (2.85 Å) and two longer (2.97 Å) Nd–Co bond lengths. The Nd–Sn bond length is 3.52 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to eight Nd atoms. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Nd and one Co atom. The Co–Co bond length is 2.26 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Nd atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Co4Sn13 by Materials Project

Nd3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Nd–Co bond lengths are 3.41 Å. There are four shorter (3.34 Å) and eight longer (3.44 Å) Nd–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Co–Sn bond lengths are 2.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Nd, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.04–3.29 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Co6Sn5 by Materials Project

Nd3Co6Sn5 crystallizes in the orthorhombic Immm 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 four equivalent Co and eight equivalent Sn atoms. All Nd–Co bond lengths are 3.01 Å. All Nd–Sn bond lengths are 3.48 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six Co and eight Sn atoms. There are two shorter (3.03 Å) and four longer (3.25 Å) Nd–Co bond lengths. There are a spread of Nd–Sn bond distances ranging from 3.17–3.33 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to two equivalent Nd, four equivalent Co, and four Sn atoms. All Co–Co bond lengths are 2.57 Å. There are two shorter (2.59 Å) and two longer (2.94 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 10-coordinate geometry to three Nd, three Co, and four Sn atoms. The Co–Co bond length is 2.67 Å. There are three shorter (2.59 Å) and one longer (2.80 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to five Nd, four Co, and one Sn atom. The Sn–Sn bond length is 3.18 Å. In the second Sn site, Sn is bonded to four equivalent Nd and eight Co atoms to form face-sharing SnNd4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3(Co2Sn)4 by Materials Project

Nd3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Nd–Co bond distances ranging from 3.17–3.58 Å. There are a spread of Nd–Sn bond distances ranging from 3.23–3.33 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Nd, seven Co, and three equivalent Sn atoms to form distorted CoNd2Co7Sn3 cuboctahedra that share corners with nine CoNd4Co4Sn4 cuboctahedra and faces with fourteen CoNd2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.57 Å. All Co–Sn bond lengths are 2.68 Å. In the second Co site, Co is bonded to four equivalent Nd, four Co, and four Sn atoms to form a mixture of distorted face and corner-sharing CoNd4Co4Sn4 cuboctahedra. The Co–Co bond length is 2.47 Å. There are a spread of Co–Sn bond distances ranging from 2.72–2.84 Å. In the third Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent CoNd4Co4Sn4 cuboctahedra and faces with fourteen CoNd2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.71 Å. In the fourth Co site, Co is bonded in a 10-coordinate geometry to six equivalent Nd and four Sn atoms. There are three shorter (2.56 Å) and one longer (2.76 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Nd and four Co atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Nd and eight Co atoms.

36 MATERIALS SCIENCE↗