Materials Data on Pr5Ge4 by Materials Project

Abstract

Pr5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.00–3.27 Å. In the second Pr site, Pr is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.10–3.82 Å. In the third Pr site, Pr is bonded to six Ge atoms to form corner-sharing PrGe6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Pr–Ge bond distances ranging from 3.12–3.32 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Pr and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to eight Pr atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Pr and one Ge atom.