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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↗

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↗