Materials Data on CsNa2Ge17 by Materials Project

Abstract

CsNa2Ge17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twenty-eight Ge atoms. There are a spread of Cs–Ge bond distances ranging from 4.22–4.32 Å. 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 Cs, two equivalent Na, and four Ge atoms to form a mixture of distorted face, edge, and corner-sharing GeCs2Na2Ge4 tetrahedra. All Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.56 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to one Cs, three equivalent Na, and four Ge atoms.