Materials Data on K4Ge23 by Materials Project

Abstract

K4Ge23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.55 Å) and twelve longer (3.65 Å) K–Ge bond lengths. In the second K site, K is bonded in a 12-coordinate geometry to twelve Ge atoms. There are eight shorter (3.75 Å) and four longer (3.93 Å) K–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent K and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing GeK4Ge4 tetrahedra. All Ge–Ge bond lengths are 2.60 Å. In the second Ge site, Ge is bonded in a distorted pentagonal planar geometry to one K and four Ge atoms. There are one shorter (2.52 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three K and four Ge atoms. The Ge–Ge bond length is 2.64 Å.