Materials Data on Nd2FeGe4 by Materials Project

Abstract

Nd2FeGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 11-coordinate geometry to one Fe and ten Ge atoms. The Nd–Fe bond length is 3.24 Å. There are a spread of Nd–Ge bond distances ranging from 3.14–3.28 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.15–3.30 Å. Fe is bonded in a 5-coordinate geometry to one Nd and five Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.31–2.36 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Fe, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.70 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Nd and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Nd and two equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four Nd and two equivalent Fe atoms.