Materials Data on Yb5Au4 by Materials Project
Yb5Au4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Yb–Au bond distances ranging from 3.08–3.71 Å. In the second Yb site, Yb is bonded to six Au atoms to form a mixture of distorted edge, face, and corner-sharing YbAu6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 37–41°. There are a spread of Yb–Au bond distances ranging from 2.96–3.08 Å. In the third Yb site, Yb is bonded to six Au atoms to form a mixture of face and corner-sharing YbAu6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Yb–Au bond distances ranging from 2.99–3.19 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to eight Yb and one Au atom. The Au–Au bond length is 2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to eight Yb and one Au atom. In the third Au site, Au is bonded in a 7-coordinate geometry to eight Yb atoms.