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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyCoSn2 by Materials Project

DyCoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Co and ten Sn atoms. All Dy–Co bond lengths are 3.31 Å. There are a spread of Dy–Sn bond distances ranging from 3.29–3.73 Å. Co is bonded in a 9-coordinate geometry to four equivalent Dy and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.42–2.57 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Co atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Dy, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Co6Sn5 by Materials Project

Dy3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to six Co and eight Sn atoms. There are two shorter (2.93 Å) and four longer (3.21 Å) Dy–Co bond lengths. There are a spread of Dy–Sn bond distances ranging from 3.12–3.28 Å. In the second Dy site, Dy is bonded to four equivalent Co and eight equivalent Sn atoms to form distorted DyCo4Sn8 cuboctahedra that share edges with two equivalent SnDy4Co8 cuboctahedra and faces with two equivalent DyCo4Sn8 cuboctahedra. All Dy–Co bond lengths are 2.94 Å. All Dy–Sn bond lengths are 3.43 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to three Dy, three Co, and four Sn atoms. There are two shorter (2.55 Å) and one longer (2.65 Å) Co–Co bond lengths. There are a spread of Co–Sn bond distances ranging from 2.55–2.74 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to two equivalent Dy, four equivalent Co, and four Sn atoms. There are two shorter (2.59 Å) and two longer (2.86 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 Dy, four Co, and one Sn atom. The Sn–Sn bond length is 3.06 Å. In the second Sn site, Sn is bonded to four equivalent Dy and eight Co atoms to form SnDy4Co8 cuboctahedra that share edges with two equivalent DyCo4Sn8 cuboctahedra and faces with two equivalent SnDy4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCoSn by Materials Project

DyCoSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to four equivalent Co and six equivalent Sn atoms. There are one shorter (2.90 Å) and three longer (3.03 Å) Dy–Co bond lengths. There are a spread of Dy–Sn bond distances ranging from 3.11–3.26 Å. Co is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.61–2.64 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Dy and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy7Co6Sn23 by Materials Project

Dy7Co6Sn23 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Co and twelve Sn atoms. All Dy–Co bond lengths are 3.44 Å. There are six shorter (3.37 Å) and six longer (3.39 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Co and ten Sn atoms. Both Dy–Co bond lengths are 3.18 Å. There are a spread of Dy–Sn bond distances ranging from 3.09–3.42 Å. Co is bonded in a 9-coordinate geometry to three Dy and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.80 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Dy and two equivalent Co atoms. In the second Sn site, Sn is bonded in a 7-coordinate geometry to three equivalent Dy, three equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Sn–Sn bond lengths are 2.99 Å. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Dy, one Co, and one Sn atom. The Sn–Sn bond length is 3.20 Å. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to three equivalent Dy and one Sn atom. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to three Dy, two equivalent Co, and two Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy6Co2Sn by Materials Project

Dy6Co2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to two Co and two Sn atoms. There are one shorter (2.71 Å) and one longer (3.20 Å) Dy–Co bond lengths. There are one shorter (3.09 Å) and one longer (3.34 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 5-coordinate geometry to three Co and two Sn atoms. There are two shorter (2.91 Å) and one longer (3.12 Å) Dy–Co bond lengths. There are one shorter (3.22 Å) and one longer (3.65 Å) Dy–Sn bond lengths. In the third Dy site, Dy is bonded in a 4-coordinate geometry to three Co and one Sn atom. There are one shorter (2.74 Å) and two longer (2.88 Å) Dy–Co bond lengths. The Dy–Sn bond length is 3.40 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to eight Dy atoms. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Dy and one Co atom. The Co–Co bond length is 2.24 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Dy atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Dy atoms.

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 Dy7Co6Sn23 by Materials Project

Dy7Co6Sn23 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six Sn atoms. There are two shorter (3.57 Å) and four longer (3.58 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Co and ten Sn atoms. Both Dy–Co bond lengths are 2.92 Å. There are a spread of Dy–Sn bond distances ranging from 3.38–3.62 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to two Co and ten Sn atoms. Both Dy–Co bond lengths are 2.92 Å. There are a spread of Dy–Sn bond distances ranging from 3.38–3.63 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Dy and four Sn atoms to form distorted CoDy2Sn4 octahedra that share a cornercorner with one SnSn6 octahedra, corners with two equivalent CoDy2Sn4 octahedra, and edges with two equivalent CoDy2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 9–22°. There are a spread of Co–Sn bond distances ranging from 2.33–2.49 Å. In the second Co site, Co is bonded to two Dy and four Sn atoms to form distorted CoDy2Sn4 octahedra that share a cornercorner with one SnSn6 octahedra, corners with two CoDy2Sn4 octahedra, and edges with two CoDy2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 9–22°. There are a spread of Co–Sn bond distances ranging from 2.33–2.49 Å. There are nine inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to two equivalent Dy, one Co, and two Sn atoms. There are one shorter (2.80 Å) and one longer (3.11 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a distorted single-bond geometry to two Dy, one Co, and two Sn atoms. There are one shorter (2.80 Å) and one longer (3.11 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded to six Sn atoms to form SnSn6 octahedra that share corners with six CoDy2Sn4 octahedra. The corner-sharing octahedral tilt angles are 9°. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three Dy and two Co atoms. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three Dy and two equivalent Co atoms. In the sixth Sn site, Sn is bonded in a distorted trigonal non-coplanar geometry to three Dy, three Co, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to three Dy and four Sn atoms. All Sn–Sn bond lengths are 3.16 Å. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four Sn atoms. Both Sn–Sn bond lengths are 3.20 Å. In the ninth Sn site, Sn is bonded in a 8-coordinate geometry to four Dy and four Sn atoms. The Sn–Sn bond length is 3.20 Å.

36 MATERIALS SCIENCE↗