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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmAl7Au3 by Materials Project

SmAu3Al7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Au and twelve equivalent Al atoms. All Sm–Au bond lengths are 3.28 Å. There are six shorter (3.33 Å) and six longer (3.39 Å) Sm–Al bond lengths. Au is bonded in a 9-coordinate geometry to two equivalent Sm and seven Al atoms. There are a spread of Au–Al bond distances ranging from 2.60–2.68 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Sm and three equivalent Au atoms. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmAlAu by Materials Project

SmAuAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to six equivalent Au and six equivalent Al atoms. There are a spread of Sm–Au bond distances ranging from 3.08–3.46 Å. There are a spread of Sm–Al bond distances ranging from 3.16–3.42 Å. Au is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Al atoms. There are a spread of Au–Al bond distances ranging from 2.66–2.81 Å. Al is bonded in a 4-coordinate geometry to six equivalent Sm and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(AlAu)2 by Materials Project

Sm(AuAl)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight Au and eight Al atoms. There are four shorter (3.38 Å) and four longer (3.39 Å) Sm–Au bond lengths. There are four shorter (3.37 Å) and four longer (3.43 Å) Sm–Al bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Sm and four equivalent Al atoms to form distorted AuSm4Al4 tetrahedra that share corners with twelve equivalent AlSm4Au4 tetrahedra, edges with two equivalent AlSm4Au4 tetrahedra, edges with four equivalent AuSm4Al4 tetrahedra, and faces with four equivalent AuSm4Al4 tetrahedra. All Au–Al bond lengths are 2.60 Å. In the second Au site, Au is bonded in a 5-coordinate geometry to four equivalent Sm and five Al atoms. There are one shorter (2.49 Å) and four longer (2.59 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Sm and four equivalent Au atoms to form distorted AlSm4Au4 tetrahedra that share corners with twelve equivalent AuSm4Al4 tetrahedra, edges with two equivalent AuSm4Al4 tetrahedra, edges with four equivalent AlSm4Au4 tetrahedra, and faces with four equivalent AlSm4Au4 tetrahedra. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent Sm and five Au atoms.

36 MATERIALS SCIENCE↗