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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmAlCu by Materials Project

SmCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are four shorter (2.96 Å) and one longer (2.97 Å) Sm–Cu bond lengths. There are two shorter (3.23 Å) and four longer (3.29 Å) Sm–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Al atoms. All Cu–Al bond lengths are 2.63 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Al atoms. All Cu–Al bond lengths are 2.81 Å. Al is bonded in a 12-coordinate geometry to six equivalent Sm, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmAlCu by Materials Project

SmCuAl crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Al atoms. There are two shorter (3.17 Å) and four longer (3.23 Å) Sm–Cu bond lengths. There are two shorter (3.18 Å) and four longer (3.23 Å) Sm–Al bond lengths. Cu is bonded to six equivalent Sm, two equivalent Cu, and four equivalent Al atoms to form CuSm6Al4Cu2 cuboctahedra that share corners with eight equivalent AlSm6Al2Cu4 cuboctahedra, corners with ten equivalent CuSm6Al4Cu2 cuboctahedra, edges with six equivalent CuSm6Al4Cu2 cuboctahedra, faces with six equivalent CuSm6Al4Cu2 cuboctahedra, and faces with twelve equivalent AlSm6Al2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.76 Å. All Cu–Al bond lengths are 2.73 Å. Al is bonded to six equivalent Sm, four equivalent Cu, and two equivalent Al atoms to form AlSm6Al2Cu4 cuboctahedra that share corners with eight equivalent CuSm6Al4Cu2 cuboctahedra, corners with ten equivalent AlSm6Al2Cu4 cuboctahedra, edges with six equivalent AlSm6Al2Cu4 cuboctahedra, faces with six equivalent AlSm6Al2Cu4 cuboctahedra, and faces with twelve equivalent CuSm6Al4Cu2 cuboctahedra. Both Al–Al bond lengths are 2.76 Å.

36 MATERIALS SCIENCE↗