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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm(Ga3Co)3 by Materials Project

Sm(CoGa3)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.07–3.57 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to one Co and seven Ga atoms. The Co–Co bond length is 2.74 Å. There are a spread of Co–Ga bond distances ranging from 2.33–2.63 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to two equivalent Co and seven Ga atoms. Both Co–Co bond lengths are 2.68 Å. There are a spread of Co–Ga bond distances ranging from 2.32–2.57 Å. In the third Co site, Co is bonded in a 11-coordinate geometry to three Co and eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.54–2.98 Å. There are ten inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Sm, three Co, and two Ga atoms. There are one shorter (2.49 Å) and one longer (2.60 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 6-coordinate geometry to two equivalent Sm, two equivalent Co, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the third Ga site, Ga is bonded in a 1-coordinate geometry to three Co and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.86 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to one Sm, two Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.81–2.92 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Ga atoms. There are one shorter (2.61 Å) and two longer (2.74 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 11-coordinate geometry to two equivalent Sm, three Co, and six Ga atoms. There are one shorter (2.65 Å) and two longer (2.79 Å) Ga–Ga bond lengths. In the seventh Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and four equivalent Ga atoms. In the eighth Ga site, Ga is bonded in a 8-coordinate geometry to two equivalent Sm, two equivalent Co, and four equivalent Ga atoms. In the ninth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm and eight Ga atoms. In the tenth Ga site, Ga is bonded in a 3-coordinate geometry to five Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2(Ga3Co)3 by Materials Project

Sm2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.00–3.07 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.55 Å) and four longer (2.56 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.53–2.56 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.83 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, three Co, and five Ga atoms. There are one shorter (2.68 Å) and two longer (2.74 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sm, three Co, and five Ga atoms. There are one shorter (2.81 Å) and one longer (2.85 Å) Ga–Ga bond lengths.

36 MATERIALS SCIENCE↗