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Materials Data on TbGa2Co3 by Materials Project

TbCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to twelve equivalent Co and six equivalent Ga atoms. All Tb–Co bond lengths are 3.22 Å. All Tb–Ga bond lengths are 3.01 Å. Co is bonded to four equivalent Tb, four equivalent Co, and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing CoTb4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.61 Å. All Co–Ga bond lengths are 2.42 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Co atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbGa5Co by Materials Project

TbCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Ga atoms to form a mixture of face and corner-sharing TbGa12 cuboctahedra. There are four shorter (2.98 Å) and eight longer (2.99 Å) Tb–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.99 Å. In the second Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Tb and eight equivalent Ga atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb2Ga3Co14 by Materials Project

Tb2Co14Ga3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to thirteen Co and six equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 3.02–3.28 Å. There are three shorter (3.14 Å) and three longer (3.21 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 1-coordinate geometry to sixteen Co and three equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 2.93–3.32 Å. All Tb–Ga bond lengths are 3.06 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to one Tb, ten Co, and three equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.67 Å. All Co–Ga bond lengths are 2.66 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Tb and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.54–2.67 Å. In the third Co site, Co is bonded to two Tb, eight Co, and two equivalent Ga atoms to form distorted CoTb2Ga2Co8 cuboctahedra that share corners with five equivalent GaTb3Co9 cuboctahedra, corners with nine CoTb2Ga2Co8 cuboctahedra, edges with three equivalent CoTb3Ga2Co7 cuboctahedra, edges with three equivalent GaTb3Co9 cuboctahedra, faces with three equivalent GaTb3Co9 cuboctahedra, and faces with seven CoTb2Ga2Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.37–2.41 Å. Both Co–Ga bond lengths are 2.46 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two Tb, eight Co, and two equivalent Ga atoms. There are a spread of Co–Co bond distances ranging from 2.40–2.63 Å. There are one shorter (2.55 Å) and one longer (2.60 Å) Co–Ga bond lengths. In the fifth Co site, Co is bonded to three Tb, seven Co, and two equivalent Ga atoms to form distorted CoTb3Ga2Co7 cuboctahedra that share corners with seven CoTb2Ga2Co8 cuboctahedra, corners with eight equivalent GaTb3Co9 cuboctahedra, an edgeedge with one GaTb3Co9 cuboctahedra, edges with seven CoTb2Ga2Co8 cuboctahedra, faces with three equivalent GaTb3Co9 cuboctahedra, and faces with seven CoTb2Ga2Co8 cuboctahedra. Both Co–Ga bond lengths are 2.48 Å. Ga is bonded to three Tb and nine Co atoms to form GaTb3Co9 cuboctahedra that share corners with two equivalent GaTb3Co9 cuboctahedra, corners with thirteen CoTb2Ga2Co8 cuboctahedra, edges with four CoTb2Ga2Co8 cuboctahedra, edges with four equivalent GaTb3Co9 cuboctahedra, faces with four equivalent GaTb3Co9 cuboctahedra, and faces with six CoTb2Ga2Co8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on TbGaCo4 by Materials Project

TbCo4Ga crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (2.90 Å) and six longer (3.27 Å) Tb–Co bond lengths. All Tb–Ga bond lengths are 3.19 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.81 Å) and twelve longer (3.12 Å) Tb–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three Tb, four equivalent Co, and two equivalent Ga atoms. All Co–Co bond lengths are 2.45 Å. Both Co–Ga bond lengths are 2.51 Å. In the second Co site, Co is bonded to four Tb, six Co, and two equivalent Ga atoms to form distorted CoTb4Ga2Co6 cuboctahedra that share corners with four equivalent GaTb4Co8 cuboctahedra, corners with twelve equivalent CoTb4Ga2Co6 cuboctahedra, edges with five equivalent CoTb4Ga2Co6 cuboctahedra, edges with five equivalent GaTb4Co8 cuboctahedra, faces with two equivalent GaTb4Co8 cuboctahedra, and faces with eight equivalent CoTb4Ga2Co6 cuboctahedra. Both Co–Co bond lengths are 2.39 Å. Both Co–Ga bond lengths are 2.53 Å. Ga is bonded to four equivalent Tb and eight Co atoms to form GaTb4Co8 cuboctahedra that share corners with eight equivalent CoTb4Ga2Co6 cuboctahedra, corners with eight equivalent GaTb4Co8 cuboctahedra, edges with ten equivalent CoTb4Ga2Co6 cuboctahedra, faces with four equivalent CoTb4Ga2Co6 cuboctahedra, and faces with six equivalent GaTb4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗