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DOE OSTI2020

Materials Data on Sm3Cu3Sb4 by Materials Project

Sm3Cu3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight equivalent Sb3- atoms. There are four shorter (3.32 Å) and four longer (3.40 Å) Sm–Sb bond lengths. Cu1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.70 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent Sm3+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on SmCuSb2 by Materials Project

SmCuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.21 Å) and four longer (3.31 Å) Sm–Sb bond lengths. Cu1+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing CuSb4 tetrahedra. All Cu–Sb bond lengths are 2.68 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.07 Å. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗