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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmCuSn by Materials Project

SmCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.99 Å) and three longer (3.54 Å) Sm–Cu bond lengths. There are three shorter (3.16 Å) and three longer (3.32 Å) Sm–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Sn atoms. There are three shorter (2.72 Å) and one longer (3.12 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(CuSn)2 by Materials Project

Sm(CuSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.36 Å) and four longer (3.43 Å) Sm–Cu bond lengths. There are four shorter (3.36 Å) and four longer (3.55 Å) Sm–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Sm and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.60 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Sm and five Sn atoms. There are one shorter (2.51 Å) and four longer (2.64 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Sm and five Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCuSn by Materials Project

SmCuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing SmCu6Sn6 cuboctahedra. All Sm–Cu bond lengths are 3.25 Å. All Sm–Sn bond lengths are 3.25 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.63 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗