Materials Data on PrFeGe3 by Materials Project

Abstract

PrFeGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to five equivalent Fe and twelve Ge atoms. There are one shorter (3.34 Å) and four longer (3.49 Å) Pr–Fe bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.13–3.35 Å. Fe is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are one shorter (2.27 Å) and four longer (2.35 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Pr, one Fe, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.84 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Fe, and two equivalent Ge atoms.