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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YbCuSb by Materials Project

YbCuSb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Sb3- atoms to form a mixture of distorted face, edge, and corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are three shorter (3.11 Å) and three longer (3.29 Å) Yb–Sb bond lengths. Cu1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. There are three shorter (2.68 Å) and one longer (3.07 Å) Cu–Sb bond lengths. Sb3- is bonded in a 10-coordinate geometry to six equivalent Yb2+ and four equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCuSb by Materials Project

YbCuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Yb–Sb bond lengths are 3.26 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.57 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent Yb2+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCuSb2 by Materials Project

YbCuSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are four shorter (3.21 Å) and four longer (3.36 Å) Yb–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 2.65 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 3.11 Å. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2CuSb3 by Materials Project

(YbSb)2CuSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one copper molecule, and two YbSb clusters. In each YbSb cluster, Yb3+ is bonded in a single-bond geometry to one Sb+2.33- atom. The Yb–Sb bond length is 2.81 Å. Sb+2.33- is bonded in a single-bond geometry to one Yb3+ atom.

36 MATERIALS SCIENCE↗