Materials Data on Yb11Ge10 by Materials Project

Abstract

Yb11Ge10 crystallizes in the tetragonal I4/mmm 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 seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.94–3.71 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.95–3.20 Å. In the third Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.01–3.39 Å. In the fourth Yb site, Yb is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (3.24 Å) and four longer (3.26 Å) Yb–Ge bond lengths. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Yb and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Yb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to eight Yb and one Ge atom. The Ge–Ge bond length is 2.47 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to eight Yb and one Ge atom. The Ge–Ge bond length is 2.94 Å. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to eight Yb atoms.