Materials Data on Y5Ge4 by Materials Project

Abstract

Y5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded to six Ge atoms to form corner-sharing YGe6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of Y–Ge bond distances ranging from 2.97–3.12 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.88–3.05 Å. In the third Y site, Y is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.99–3.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Y and one Ge atom. The Ge–Ge bond length is 2.76 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Y and one Ge atom. In the third Ge site, Ge is bonded in a 7-coordinate geometry to eight Y atoms.