Materials Data on Cu6GeSb by Materials Project
Cu6GeSb is Sodium arsenide-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted trigonal planar geometry to six equivalent Cu and three equivalent Ge atoms. All Cu–Cu bond lengths are 2.73 Å. All Cu–Ge bond lengths are 2.45 Å. In the second Cu site, Cu is bonded in a distorted trigonal planar geometry to six equivalent Cu and three equivalent Sb atoms. All Cu–Cu bond lengths are 2.80 Å. All Cu–Sb bond lengths are 2.45 Å. In the third Cu site, Cu is bonded in a 1-coordinate geometry to seven Cu, one Ge, and three equivalent Sb atoms. There are one shorter (2.68 Å) and three longer (2.75 Å) Cu–Cu bond lengths. The Cu–Ge bond length is 2.45 Å. All Cu–Sb bond lengths are 2.80 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to seven Cu, three equivalent Ge, and one Sb atom. The Cu–Cu bond length is 2.40 Å. All Cu–Ge bond lengths are 2.73 Å. The Cu–Sb bond length is 2.59 Å. Ge is bonded in a 5-coordinate geometry to eleven Cu atoms. Sb is bonded in a 5-coordinate geometry to eleven Cu atoms.