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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb4Sb3 by Materials Project

Yb4Sb3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Yb+2.25+ is bonded to six equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing YbSb6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (3.19 Å) and three longer (3.36 Å) Yb–Sb bond lengths. Sb3- is bonded to eight equivalent Yb+2.25+ atoms to form a mixture of distorted corner, edge, and face-sharing SbYb8 hexagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5Sb3 by Materials Project

Yb5Sb3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded to five Sb atoms to form distorted edge-sharing YbSb5 square pyramids. There are one shorter (3.20 Å) and four longer (3.27 Å) Yb–Sb bond lengths. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Yb–Sb bond distances ranging from 3.08–3.43 Å. In the third Yb site, Yb is bonded in a 5-coordinate geometry to six Sb atoms. There are a spread of Yb–Sb bond distances ranging from 3.19–3.76 Å. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to five Sb atoms. There are a spread of Yb–Sb bond distances ranging from 3.06–3.71 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 9-coordinate geometry to nine Yb atoms. In the second Sb site, Sb is bonded in a 7-coordinate geometry to eight Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSb by Materials Project

YbSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent Sb3- atoms to form a mixture of edge and corner-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Sb bond lengths are 3.19 Å. Sb3- is bonded to six equivalent Yb3+ atoms to form a mixture of edge and corner-sharing SbYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb5Sb3 by Materials Project

Yb5Sb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are a spread of Yb–Sb bond distances ranging from 3.10–3.66 Å. In the second Yb site, Yb is bonded to six equivalent Sb atoms to form a mixture of distorted edge, corner, and face-sharing YbSb6 octahedra. The corner-sharing octahedral tilt angles are 36°. All Yb–Sb bond lengths are 3.29 Å. Sb is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSb2 by Materials Project

YbSb2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb3+ is bonded in a 10-coordinate geometry to ten Sb+1.50- atoms. There are a spread of Yb–Sb bond distances ranging from 3.23–3.60 Å. There are two inequivalent Sb+1.50- sites. In the first Sb+1.50- site, Sb+1.50- is bonded in a 4-coordinate geometry to six equivalent Yb3+ and two equivalent Sb+1.50- atoms. Both Sb–Sb bond lengths are 3.01 Å. In the second Sb+1.50- site, Sb+1.50- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Sb+1.50- atoms. All Sb–Sb bond lengths are 3.17 Å.

36 MATERIALS SCIENCE↗