Materials Data on Gd2Fe17 by Materials Project

Abstract

Gd2Fe17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to nineteen Fe atoms. There are a spread of Gd–Fe bond distances ranging from 3.02–3.27 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to three equivalent Gd and nine Fe atoms to form FeGd3Fe9 cuboctahedra that share corners with fifteen FeGd2Fe10 cuboctahedra, edges with eight FeGd2Fe10 cuboctahedra, and faces with ten FeGd3Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.46–2.65 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Gd and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.78 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Gd and thirteen Fe atoms. There are one shorter (2.40 Å) and three longer (2.61 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded to two equivalent Gd and ten Fe atoms to form FeGd2Fe10 cuboctahedra that share corners with fourteen FeGd2Fe10 cuboctahedra, edges with six equivalent FeGd3Fe9 cuboctahedra, and faces with ten FeGd3Fe9 cuboctahedra.