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Materials Data on TbCo5 by Materials Project

TbCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.85 Å) and twelve longer (3.16 Å) Tb–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Tb and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTb4Co8 cuboctahedra. There are four shorter (2.43 Å) and four longer (2.47 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Co atoms.

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Materials Data on TbCo2 by Materials Project

TbCo2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve equivalent Co atoms. All Tb–Co bond lengths are 2.98 Å. Co is bonded to six equivalent Tb and six equivalent Co atoms to form a mixture of corner, edge, and face-sharing CoTb6Co6 cuboctahedra. All Co–Co bond lengths are 2.54 Å.

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Materials Data on Tb12Co7 by Materials Project

Tb12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Tb sites. In the first Tb site, Tb is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.10 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tb–Co bond distances ranging from 2.75–3.01 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tb–Co bond distances ranging from 2.79–3.07 Å. In the fourth Tb site, Tb is bonded in a 4-coordinate geometry to five Co atoms. There are a spread of Tb–Co bond distances ranging from 2.83–3.41 Å. In the fifth Tb site, Tb is bonded to four Co atoms to form distorted corner-sharing TbCo4 tetrahedra. There are a spread of Tb–Co bond distances ranging from 2.75–3.01 Å. In the sixth Tb site, Tb is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Tb–Co bond distances ranging from 2.75–3.19 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Tb and one Co atom. The Co–Co bond length is 2.29 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Tb atoms. In the third Co site, Co is bonded in a 10-coordinate geometry to seven Tb and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Tb atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb3Co by Materials Project

Tb3Co is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Tb3Co sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to two equivalent Co atoms. There are one shorter (2.74 Å) and one longer (2.87 Å) Tb–Co bond lengths. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.67 Å) and one longer (2.83 Å) Tb–Co bond lengths. Co is bonded in a 6-coordinate geometry to six Tb atoms.

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Materials Data on TbCo3 by Materials Project

TbCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.10 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.18 Å) Tb–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Tb and seven Co atoms to form a mixture of edge, face, and corner-sharing CoTb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Tb and six equivalent Co atoms to form CoTb6Co6 cuboctahedra that share corners with twelve equivalent CoTb5Co7 cuboctahedra, edges with six equivalent CoTb6Co6 cuboctahedra, and faces with eighteen equivalent CoTb5Co7 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Tb2Co7 by Materials Project

Tb2Co7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Tb–Co bond distances ranging from 2.86–3.09 Å. In the fourth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the fifth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. In the sixth Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.23 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded to four Tb and eight Co atoms to form CoTb4Co8 cuboctahedra that share corners with sixteen CoTb4Co8 cuboctahedra, edges with ten CoTb4Co8 cuboctahedra, and faces with ten CoTb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å. In the second Co site, Co is bonded to six equivalent Tb and six equivalent Co atoms to form CoTb6Co6 cuboctahedra that share corners with twelve equivalent CoTb5Co7 cuboctahedra, edges with six equivalent CoTb6Co6 cuboctahedra, and faces with eighteen equivalent CoTb5Co7 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six Co atoms. There are three shorter (2.43 Å) and three longer (2.44 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to four Tb and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTb4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six Co atoms. There are three shorter (2.42 Å) and two longer (2.45 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to four equivalent Tb and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTb4Co8 cuboctahedra. There are two shorter (2.45 Å) and four longer (2.48 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded to five Tb and seven Co atoms to form distorted CoTb5Co7 cuboctahedra that share corners with seventeen CoTb4Co8 cuboctahedra, edges with eight CoTb4Co8 cuboctahedra, and faces with fourteen CoTb6Co6 cuboctahedra. All Co–Co bond lengths are 2.48 Å. In the eighth Co site, Co is bonded to four Tb and eight Co atoms to form CoTb4Co8 cuboctahedra that share corners with sixteen CoTb5Co7 cuboctahedra, edges with ten CoTb4Co8 cuboctahedra, and faces with ten CoTb4Co8 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.48 Å) Co–Co bond lengths.

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Materials Data on Tb2Co17 by Materials Project

Tb2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Tb–Co bond distances ranging from 2.95–3.25 Å. In the second Tb site, Tb is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Tb–Co bond distances ranging from 2.90–3.14 Å. There are four inequivalent Co sites. In the first 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 2.32–2.66 Å. In the second Co site, Co is bonded to two equivalent Tb and ten Co atoms to form CoTb2Co10 cuboctahedra that share corners with fourteen CoTb2Co10 cuboctahedra, edges with six equivalent CoTb3Co9 cuboctahedra, and faces with ten CoTb2Co10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two Tb and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.56 Å. In the fourth Co site, Co is bonded to three Tb and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoTb3Co9 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.

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Materials Data on Tb4Co by Materials Project

Tb4Co is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Tb4Co clusters. Tb is bonded in a single-bond geometry to one Co atom. The Tb–Co bond length is 2.48 Å. Co is bonded in a tetrahedral geometry to four equivalent Tb atoms.

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Materials Data on Tb4Co3 by Materials Project

Tb4Co3 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.02 Å. In the second Tb site, Tb is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Tb–Co bond distances ranging from 2.79–3.07 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Co atoms. All Co–Co bond lengths are 2.34 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Tb and one Co atom. In the third Co site, Co is bonded in a 6-coordinate geometry to six equivalent Tb atoms.

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