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Materials Data on Sm3Co6Sn5 by Materials Project

Sm3Co6Sn5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to six Co and eight Sn atoms. There are two shorter (3.01 Å) and four longer (3.24 Å) Sm–Co bond lengths. There are a spread of Sm–Sn bond distances ranging from 3.15–3.32 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to four equivalent Co and eight equivalent Sn atoms. All Sm–Co bond lengths are 3.00 Å. All Sm–Sn bond lengths are 3.47 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to three Sm, three Co, and four Sn atoms. There are two shorter (2.55 Å) and one longer (2.66 Å) Co–Co bond lengths. There are a spread of Co–Sn bond distances ranging from 2.58–2.78 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to two equivalent Sm, four equivalent Co, and four Sn atoms. There are two shorter (2.59 Å) and two longer (2.92 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 Sm, four Co, and one Sn atom. The Sn–Sn bond length is 3.15 Å. In the second Sn site, Sn is bonded to four equivalent Sm and eight Co atoms to form face-sharing SnSm4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗

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↗

Materials Data on Sm6Co2Sn by Materials Project

Sm6Co2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 5-coordinate geometry to three Co and two Sn atoms. There are two shorter (2.96 Å) and one longer (3.42 Å) Sm–Co bond lengths. There are one shorter (3.36 Å) and one longer (3.69 Å) Sm–Sn bond lengths. In the second Sm site, Sm is bonded in a 4-coordinate geometry to two Co and two Sn atoms. There are one shorter (2.89 Å) and one longer (3.27 Å) Sm–Co bond lengths. There are one shorter (3.12 Å) and one longer (3.45 Å) Sm–Sn bond lengths. In the third Sm site, Sm is bonded in a 4-coordinate geometry to three Co and one Sn atom. There are one shorter (2.82 Å) and two longer (2.90 Å) Sm–Co bond lengths. The Sm–Sn bond length is 3.53 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Sm and one Co atom. The Co–Co bond length is 2.21 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Sm 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 Sm atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Sm atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sm3Co4Sn13 by Materials Project

Sm3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Sm–Co bond lengths are 3.39 Å. There are four shorter (3.33 Å) and eight longer (3.41 Å) Sm–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Co–Sn bond lengths are 2.61 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Sm, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.02–3.28 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗