Materials Data on Cu5Ge2 by Materials Project

Abstract

Cu5Ge2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to six Cu and four equivalent Ge atoms. There are three shorter (2.54 Å) and three longer (2.90 Å) Cu–Cu bond lengths. There are three shorter (2.52 Å) and one longer (2.58 Å) Cu–Ge bond lengths. In the second Cu site, Cu is bonded in a 4-coordinate geometry to seven Cu and four equivalent Ge atoms. There are one shorter (2.53 Å) and three longer (2.88 Å) Cu–Cu bond lengths. There are one shorter (2.44 Å) and three longer (2.52 Å) Cu–Ge bond lengths. In the third Cu site, Cu is bonded in a 8-coordinate geometry to eight Cu and six equivalent Ge atoms. All Cu–Ge bond lengths are 2.93 Å. Ge is bonded in a distorted body-centered cubic geometry to eleven Cu atoms.