Materials Data on RbNa2Ge17 by Materials Project

Abstract

RbNa2Ge17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight rubidium molecules and one Na2Ge17 framework. In the Na2Ge17 framework, Na is bonded in a 8-coordinate geometry to twenty Ge atoms. There are a spread of Na–Ge bond distances ranging from 3.43–3.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to two equivalent Na and four Ge atoms to form a mixture of edge and corner-sharing GeNa2Ge4 tetrahedra. There are one shorter (2.54 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 4-coordinate geometry to three equivalent Na and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ge atoms.