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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GdCuSn by Materials Project

GdCuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Sn atoms. There are three shorter (2.97 Å) and three longer (3.49 Å) Gd–Cu bond lengths. There are three shorter (3.13 Å) and three longer (3.29 Å) Gd–Sn bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Sn atoms. There are three shorter (2.70 Å) and one longer (3.07 Å) Cu–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCu5Sn by Materials Project

GdCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Gd–Cu bond distances ranging from 2.90–3.39 Å. There are a spread of Gd–Sn bond distances ranging from 3.28–3.40 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Gd, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuGd3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.49–2.58 Å. Both Cu–Sn bond lengths are 2.82 Å. In the second Cu site, Cu is bonded to three equivalent Gd, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuGd3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.55 Å. There are one shorter (2.77 Å) and one longer (2.80 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Gd, six Cu, and one Sn atom. The Cu–Cu bond length is 3.05 Å. 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 Gd, five Cu, and three equivalent Sn atoms. There are one shorter (2.64 Å) and two longer (3.03 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Gd and ten Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(CuSn)2 by Materials Project

GdCu2Sn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.34 Å) and four longer (3.39 Å) Gd–Cu bond lengths. There are four shorter (3.32 Å) and four longer (3.55 Å) Gd–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 Gd and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.58 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Gd and five Sn atoms. There are one shorter (2.50 Å) and four longer (2.63 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 Gd and four equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Gd and five Cu atoms.

36 MATERIALS SCIENCE↗