Materials Data on Gd2Fe5Si8 by Materials Project
Gd2Fe5Si8 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd3+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are three shorter (2.91 Å) and three longer (2.97 Å) Gd–Si bond lengths. There are three inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to seven Si2- atoms to form distorted edge-sharing FeSi7 hexagonal pyramids. There are a spread of Fe–Si bond distances ranging from 2.35–2.42 Å. In the second Fe2+ site, Fe2+ is bonded to seven Si2- atoms to form distorted edge-sharing FeSi7 hexagonal pyramids. There are a spread of Fe–Si bond distances ranging from 2.29–2.43 Å. In the third Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are two shorter (2.34 Å) and six longer (2.40 Å) Fe–Si bond lengths. There are four inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 7-coordinate geometry to seven Fe2+ atoms. In the second Si2- site, Si2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. In the third Si2- site, Si2- is bonded in a 7-coordinate geometry to three equivalent Gd3+ and four Fe2+ atoms. In the fourth Si2- site, Si2- is bonded in a 6-coordinate geometry to three equivalent Gd3+ and three equivalent Fe2+ atoms.