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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdSb2Au by Materials Project

NdAuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.24 Å) and four longer (3.39 Å) Nd–Sb bond lengths. Au3+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing AuSb4 tetrahedra. All Au–Sb bond lengths are 2.90 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.14 Å. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Au3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSbAu by Materials Project

NdAuSb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six equivalent Sb2- atoms to form distorted edge-sharing NdSb6 octahedra. All Nd–Sb bond lengths are 3.26 Å. In the second Nd3+ site, Nd3+ is bonded in a 12-coordinate geometry to six equivalent Au1- and six equivalent Sb2- atoms. There are four shorter (3.08 Å) and two longer (3.09 Å) Nd–Au bond lengths. All Nd–Sb bond lengths are 3.54 Å. Au1- is bonded in a 6-coordinate geometry to three equivalent Nd3+ and three equivalent Sb2- atoms. There are two shorter (2.81 Å) and one longer (2.82 Å) Au–Sb bond lengths. Sb2- is bonded in a 6-coordinate geometry to six Nd3+ and three equivalent Au1- atoms.

36 MATERIALS SCIENCE↗