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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb3(CuSn)4 by Materials Project

Tb3(CuSn)4 crystallizes in the orthorhombic Immm 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 Cu and six Sn atoms. There are four shorter (3.17 Å) and two longer (3.20 Å) Tb–Cu bond lengths. There are two shorter (3.17 Å) and four longer (3.28 Å) Tb–Sn bond lengths. In the second Tb site, Tb is bonded to six Sn atoms to form distorted edge-sharing TbSn6 octahedra. There are four shorter (3.05 Å) and two longer (3.19 Å) Tb–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Tb, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.62 Å. There are a spread of Cu–Sn bond distances ranging from 2.63–2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Tb, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.83 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to three Tb and six equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCuSn by Materials Project

TbCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of face and edge-sharing TbCu6Sn6 cuboctahedra. All Tb–Cu bond lengths are 3.23 Å. All Tb–Sn bond lengths are 3.23 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.62 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCuSn by Materials Project

TbCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.96 Å) and three longer (3.50 Å) Tb–Cu bond lengths. There are three shorter (3.12 Å) and three longer (3.29 Å) Tb–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Sn atoms. There are three shorter (2.70 Å) and one longer (3.05 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbCu5Sn by Materials Project

TbCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Tb–Cu bond distances ranging from 2.90–3.39 Å. There are a spread of Tb–Sn bond distances ranging from 3.28–3.41 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.59 Å. Both Cu–Sn bond lengths are 2.81 Å. In the second Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.56 Å. There are one shorter (2.77 Å) and one longer (2.79 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb, five Cu, and one Sn atom. The Cu–Sn bond length is 2.79 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Tb, four Cu, and three equivalent Sn atoms. There are one shorter (2.64 Å) and two longer (3.02 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Tb and ten Cu atoms.

36 MATERIALS SCIENCE↗