Materials Data on Lu2Fe4Si9 by Materials Project
Lu2Fe4Si9 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu is bonded in a 6-coordinate geometry to three equivalent Fe and eight Si atoms. All Lu–Fe bond lengths are 3.14 Å. There are a spread of Lu–Si bond distances ranging from 2.83–3.13 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 7-coordinate geometry to ten Si atoms. There are a spread of Fe–Si bond distances ranging from 2.30–2.69 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Lu and seven Si atoms. There are a spread of Fe–Si bond distances ranging from 2.31–2.46 Å. There are five inequivalent Si sites. In the first Si site, Si is bonded in a 11-coordinate geometry to one Lu, four equivalent Fe, and six Si atoms. There are three shorter (2.50 Å) and three longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 4-coordinate geometry to one Lu, four equivalent Fe, and six Si atoms. All Si–Si bond lengths are 2.65 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to three equivalent Lu, three equivalent Fe, and four Si atoms. The Si–Si bond length is 2.42 Å. In the fourth Si site, Si is bonded in a 6-coordinate geometry to three equivalent Lu, three equivalent Fe, and three equivalent Si atoms. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six equivalent Fe and eight Si atoms.