Materials Data on Yb3(CuGe)4 by Materials Project

Abstract

Yb3Cu4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to six Ge atoms to form distorted edge-sharing YbGe6 octahedra. There are four shorter (2.98 Å) and two longer (3.00 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.00 Å) and two longer (3.02 Å) Yb–Cu bond lengths. There are two shorter (2.97 Å) and four longer (3.04 Å) Yb–Ge bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Yb, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.54 Å. There are a spread of Cu–Ge bond distances ranging from 2.49–2.58 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Yb and six equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.47 Å.