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DOE OSTI2020

Materials Data on Sm3Sb4Au3 by Materials Project

Sm3Au3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm3+ is bonded in a 12-coordinate geometry to four equivalent Au1- and eight equivalent Sb+1.50- atoms. All Sm–Au bond lengths are 3.08 Å. There are four shorter (3.42 Å) and four longer (3.54 Å) Sm–Sb bond lengths. Au1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb+1.50- atoms. All Au–Sb bond lengths are 2.84 Å. Sb+1.50- is bonded in a 3-coordinate geometry to six equivalent Sm3+ and three equivalent Au1- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Sm2Sb3Au by Materials Project

(SmSb)2AuSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one gold molecule, and two stibanylidynesamarium molecules.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on SmSb2Au by Materials Project

SmAuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.22 Å) and four longer (3.35 Å) Sm–Sb bond lengths. Au3+ is bonded to four equivalent Sb3- atoms to form a mixture of corner and edge-sharing AuSb4 tetrahedra. All Au–Sb bond lengths are 2.89 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.13 Å. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.

36 MATERIALS SCIENCE↗