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Materials Data on Yb5Bi3 by Materials Project

Yb5Bi3 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 in a 5-coordinate geometry to five Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.13–3.73 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to six Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.27–3.81 Å. In the third Yb site, Yb is bonded to five Bi atoms to form distorted edge-sharing YbBi5 square pyramids. There are one shorter (3.27 Å) and four longer (3.34 Å) Yb–Bi bond lengths. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.15–3.50 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Yb atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to eight Yb atoms.

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