Materials Data on Lu3Fe2Si3 by Materials Project

Abstract

Lu3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 5-coordinate geometry to four equivalent Fe and five Si atoms. All Lu–Fe bond lengths are 3.12 Å. There are a spread of Lu–Si bond distances ranging from 2.81–3.18 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to four equivalent Fe and seven Si atoms. There are a spread of Lu–Fe bond distances ranging from 2.95–3.03 Å. There are a spread of Lu–Si bond distances ranging from 2.88–3.25 Å. Fe is bonded in a 10-coordinate geometry to six Lu and four Si atoms. There are a spread of Fe–Si bond distances ranging from 2.30–2.54 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Lu and two equivalent Fe atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Lu, three equivalent Fe, and one Si atom. The Si–Si bond length is 2.70 Å.