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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y3(Co2Sn)4 by Materials Project

Y3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eight Co and six Sn atoms. There are a spread of Y–Co bond distances ranging from 3.06–3.49 Å. There are a spread of Y–Sn bond distances ranging from 3.19–3.27 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, seven Co, and three equivalent Sn atoms to form a mixture of distorted corner and face-sharing CoY2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.61 Å. There are one shorter (2.64 Å) and two longer (2.67 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to nine Co and three equivalent Sn atoms to form face-sharing CoCo9Sn3 cuboctahedra. All Co–Co bond lengths are 2.49 Å. All Co–Sn bond lengths are 2.71 Å. In the third Co site, Co is bonded in a 7-coordinate geometry to six equivalent Y and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.78 Å) Co–Sn bond lengths. In the fourth Co site, Co is bonded in a 12-coordinate geometry to four equivalent Y, four Co, and four Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.70–2.79 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Y and eight Co atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Y and four Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3(Co2Sn)4 by Materials Project

Yb3(Co2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Yb–Co bond distances ranging from 3.08–3.54 Å. There are a spread of Yb–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Yb, four Co, and four Sn atoms. There are a spread of Co–Co bond distances ranging from 2.46–2.58 Å. There are a spread of Co–Sn bond distances ranging from 2.69–2.83 Å. In the second Co site, Co is bonded to two equivalent Yb, seven Co, and three equivalent Sn atoms to form distorted CoYb2Co7Sn3 cuboctahedra that share corners with four equivalent CoYb2Co7Sn3 cuboctahedra, corners with five equivalent SnYb4Co8 cuboctahedra, faces with six equivalent SnYb4Co8 cuboctahedra, and faces with eight CoYb2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. There are two shorter (2.66 Å) and one longer (2.68 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 10-coordinate geometry to six equivalent Yb and four Sn atoms. There are three shorter (2.50 Å) and one longer (2.56 Å) Co–Sn bond lengths. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnYb4Co8 cuboctahedra, faces with six equivalent SnYb4Co8 cuboctahedra, and faces with eight CoYb2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Yb and eight Co atoms to form distorted SnYb4Co8 cuboctahedra that share corners with four equivalent SnYb4Co8 cuboctahedra, corners with six CoYb2Co7Sn3 cuboctahedra, faces with eight CoYb2Co7Sn3 cuboctahedra, and faces with eight equivalent SnYb4Co8 cuboctahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2Sn by Materials Project

SnCo2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Co and five equivalent Sn atoms to form a mixture of distorted face and corner-sharing CoCo6Sn5 trigonal bipyramids. All Co–Co bond lengths are 2.79 Å. There are three shorter (2.47 Å) and two longer (2.62 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Co and six equivalent Sn atoms. Both Co–Co bond lengths are 2.62 Å. All Co–Sn bond lengths are 2.79 Å. Sn is bonded in a 11-coordinate geometry to eleven Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(Co2Sn)4 by Materials Project

Sm3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Sm–Co bond distances ranging from 3.11–3.59 Å. There are a spread of Sm–Sn bond distances ranging from 3.20–3.28 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Sm and four Sn atoms. There are three shorter (2.55 Å) and one longer (2.66 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Sm, seven Co, and three equivalent Sn atoms to form distorted CoSm2Co7Sn3 cuboctahedra that share corners with four equivalent CoSm2Co7Sn3 cuboctahedra, corners with five equivalent SnSm4Co8 cuboctahedra, faces with six equivalent SnSm4Co8 cuboctahedra, and faces with eight CoSm2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.57 Å. There are one shorter (2.67 Å) and two longer (2.68 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Sm, four Co, and four Sn atoms. The Co–Co bond length is 2.46 Å. There are a spread of Co–Sn bond distances ranging from 2.72–2.85 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnSm4Co8 cuboctahedra, faces with six equivalent SnSm4Co8 cuboctahedra, and faces with eight CoSm2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Sm and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Sm and eight Co atoms to form distorted SnSm4Co8 cuboctahedra that share corners with four equivalent SnSm4Co8 cuboctahedra, corners with six CoSm2Co7Sn3 cuboctahedra, faces with eight CoSm2Co7Sn3 cuboctahedra, and faces with eight equivalent SnSm4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3(Co2Sn)4 by Materials Project

Tb3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Tb–Co bond distances ranging from 3.06–3.56 Å. There are a spread of Tb–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Tb and four Sn atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Tb, seven Co, and three equivalent Sn atoms to form distorted CoTb2Co7Sn3 cuboctahedra that share corners with four equivalent CoTb2Co7Sn3 cuboctahedra, corners with five equivalent SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.60 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Tb, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å. There are a spread of Co–Sn bond distances ranging from 2.68–2.81 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Tb and eight Co atoms to form distorted SnTb4Co8 cuboctahedra that share corners with four equivalent SnTb4Co8 cuboctahedra, corners with six CoTb2Co7Sn3 cuboctahedra, faces with eight CoTb2Co7Sn3 cuboctahedra, and faces with eight equivalent SnTb4Co8 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↗
DOE OSTI2020

Materials Data on Ho3(Co2Sn)4 by Materials Project

Ho3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Ho–Co bond distances ranging from 3.03–3.38 Å. There are a spread of Ho–Sn bond distances ranging from 3.16–3.27 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Ho and four Sn atoms. There are three shorter (2.51 Å) and one longer (2.65 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Ho, seven Co, and three equivalent Sn atoms to form distorted CoHo2Co7Sn3 cuboctahedra that share corners with four equivalent CoHo2Co7Sn3 cuboctahedra, corners with five equivalent SnHo4Co8 cuboctahedra, faces with six equivalent SnHo4Co8 cuboctahedra, and faces with eight CoHo2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.62 Å. There are one shorter (2.64 Å) and two longer (2.66 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Ho, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å. There are a spread of Co–Sn bond distances ranging from 2.65–2.79 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnHo4Co8 cuboctahedra, faces with six equivalent SnHo4Co8 cuboctahedra, and faces with eight CoHo2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.67 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Ho and eight Co atoms to form distorted SnHo4Co8 cuboctahedra that share corners with four equivalent SnHo4Co8 cuboctahedra, corners with six CoHo2Co7Sn3 cuboctahedra, faces with eight CoHo2Co7Sn3 cuboctahedra, and faces with eight equivalent SnHo4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3(Co2Sn)4 by Materials Project

Dy3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six Co and six Sn atoms. There are a spread of Dy–Co bond distances ranging from 3.03–3.36 Å. There are a spread of Dy–Sn bond distances ranging from 3.17–3.26 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Dy and four Sn atoms. There are three shorter (2.52 Å) and one longer (2.64 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Dy, seven Co, and three equivalent Sn atoms to form distorted CoDy2Co7Sn3 cuboctahedra that share corners with four equivalent CoDy2Co7Sn3 cuboctahedra, corners with five equivalent SnDy4Co8 cuboctahedra, faces with six equivalent SnDy4Co8 cuboctahedra, and faces with eight CoDy2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.60 Å. There are one shorter (2.63 Å) and two longer (2.65 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Dy, four Co, and four Sn atoms. The Co–Co bond length is 2.49 Å. There are a spread of Co–Sn bond distances ranging from 2.65–2.77 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnDy4Co8 cuboctahedra, faces with six equivalent SnDy4Co8 cuboctahedra, and faces with eight CoDy2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.66 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Dy and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Dy and eight Co atoms to form distorted SnDy4Co8 cuboctahedra that share corners with four equivalent SnDy4Co8 cuboctahedra, corners with six CoDy2Co7Sn3 cuboctahedra, faces with eight CoDy2Co7Sn3 cuboctahedra, and faces with eight equivalent SnDy4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(Co2Sn)4 by Materials Project

Pr3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Pr–Co bond distances ranging from 3.17–3.62 Å. There are a spread of Pr–Sn bond distances ranging from 3.23–3.30 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to six equivalent Pr and four Sn atoms. There are three shorter (2.58 Å) and one longer (2.68 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to two equivalent Pr, seven Co, and three equivalent Sn atoms to form CoPr2Co7Sn3 cuboctahedra that share corners with four equivalent CoPr2Co7Sn3 cuboctahedra, corners with five equivalent SnPr4Co8 cuboctahedra, faces with six equivalent SnPr4Co8 cuboctahedra, and faces with eight CoPr2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.57 Å. All Co–Sn bond lengths are 2.70 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Pr, four Co, and four Sn atoms. The Co–Co bond length is 2.45 Å. There are a spread of Co–Sn bond distances ranging from 2.72–2.87 Å. In the fourth Co site, Co is bonded to nine Co and three equivalent Sn atoms to form CoCo9Sn3 cuboctahedra that share corners with three equivalent SnPr4Co8 cuboctahedra, faces with six equivalent SnPr4Co8 cuboctahedra, and faces with eight CoPr2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Pr and eight Co atoms to form distorted SnPr4Co8 cuboctahedra that share corners with four equivalent SnPr4Co8 cuboctahedra, corners with six CoPr2Co7Sn3 cuboctahedra, faces with eight CoPr2Co7Sn3 cuboctahedra, and faces with eight equivalent SnPr4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗