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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbCoSn2 by Materials Project

TbCoSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Co and ten Sn atoms. All Tb–Co bond lengths are 3.35 Å. There are a spread of Tb–Sn bond distances ranging from 3.30–3.69 Å. Co is bonded in a 9-coordinate geometry to four equivalent Tb and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.41–2.56 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Tb, one Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.85 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Tb and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCoSn by Materials Project

TbCoSn crystallizes in the monoclinic P2_1/m 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 four Co and six Sn atoms. There are a spread of Tb–Co bond distances ranging from 2.94–3.05 Å. There are a spread of Tb–Sn bond distances ranging from 3.12–3.28 Å. In the second Tb site, Tb is bonded in a 10-coordinate geometry to four Co and six Sn atoms. There are a spread of Tb–Co bond distances ranging from 2.95–3.05 Å. There are a spread of Tb–Sn bond distances ranging from 3.12–3.28 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to four Tb and four Sn atoms. There are three shorter (2.63 Å) and one longer (2.65 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to four Tb and four Sn atoms. There are three shorter (2.63 Å) and one longer (2.65 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six Tb and four Co atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to six Tb and four Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Co4Sn13 by Materials Project

Tb3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Tb–Co bond lengths are 3.38 Å. There are four shorter (3.32 Å) and eight longer (3.39 Å) Tb–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Tb and six equivalent Sn atoms. All Co–Sn bond lengths are 2.60 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Tb, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.00–3.27 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3(Co2Sn)4 by Materials Project

Tb3Co8Sn4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to eight Co and six Sn atoms. There are a spread of Tb–Co bond distances ranging from 3.06–3.56 Å. There are a spread of Tb–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 Tb 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 Tb, seven Co, and three equivalent Sn atoms to form distorted CoTb2Co7Sn3 cuboctahedra that share corners with four equivalent CoTb2Co7Sn3 cuboctahedra, corners with five equivalent SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.38–2.60 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to four equivalent Tb, four Co, and four Sn atoms. The Co–Co bond length is 2.48 Å. There are a spread of Co–Sn bond distances ranging from 2.68–2.81 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 SnTb4Co8 cuboctahedra, faces with six equivalent SnTb4Co8 cuboctahedra, and faces with eight CoTb2Co7Sn3 cuboctahedra. All Co–Sn bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four Co atoms. In the second Sn site, Sn is bonded to four equivalent Tb and eight Co atoms to form distorted SnTb4Co8 cuboctahedra that share corners with four equivalent SnTb4Co8 cuboctahedra, corners with six CoTb2Co7Sn3 cuboctahedra, faces with eight CoTb2Co7Sn3 cuboctahedra, and faces with eight equivalent SnTb4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb6Co2Sn by Materials Project

Tb6Co2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to two Co and two Sn atoms. There are one shorter (2.72 Å) and one longer (3.23 Å) Tb–Co bond lengths. There are one shorter (3.10 Å) and one longer (3.36 Å) Tb–Sn bond lengths. In the second Tb site, Tb is bonded in a 5-coordinate geometry to three Co and two Sn atoms. There are two shorter (2.92 Å) and one longer (3.13 Å) Tb–Co bond lengths. There are one shorter (3.24 Å) and one longer (3.66 Å) Tb–Sn bond lengths. In the third Tb site, Tb is bonded in a 4-coordinate geometry to three Co and one Sn atom. There are one shorter (2.76 Å) and two longer (2.89 Å) Tb–Co bond lengths. The Tb–Sn bond length is 3.42 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to eight Tb atoms. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Tb 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 Tb atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb7Co6Sn23 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb7Co6Sn23 by Materials Project

Tb7Co6Sn23 crystallizes in the trigonal P-3m1 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 six equivalent Co and twelve Sn atoms. All Tb–Co bond lengths are 3.44 Å. There are six shorter (3.37 Å) and six longer (3.38 Å) Tb–Sn bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to two equivalent Co and ten Sn atoms. Both Tb–Co bond lengths are 3.17 Å. There are a spread of Tb–Sn bond distances ranging from 3.09–3.40 Å. Co is bonded in a 9-coordinate geometry to three Tb and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.59–2.79 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Tb, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.98 Å. In the second Sn site, Sn is bonded in a 7-coordinate geometry to three equivalent Tb, three equivalent Co, and one Sn atom. The Sn–Sn bond length is 2.95 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 2.98 Å. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Tb, one Co, and one Sn atom. The Sn–Sn bond length is 3.18 Å. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to three equivalent Tb and one Sn atom. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to three Tb, two equivalent Co, and two Sn atoms.

36 MATERIALS SCIENCE↗