Materials Data on Tm3Fe2Si3 by Materials Project

Abstract

Tm3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 5-coordinate geometry to four equivalent Fe and five Si atoms. All Tm–Fe bond lengths are 3.15 Å. There are four shorter (2.83 Å) and one longer (3.22 Å) Tm–Si bond lengths. In the second Tm site, Tm is bonded in a 10-coordinate geometry to four equivalent Fe and seven Si atoms. There are a spread of Tm–Fe bond distances ranging from 2.96–3.08 Å. There are a spread of Tm–Si bond distances ranging from 2.91–3.24 Å. Fe is bonded in a 10-coordinate geometry to six Tm and four Si atoms. There are a spread of Fe–Si bond distances ranging from 2.30–2.56 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Tm and two equivalent Fe atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to six Tm, three equivalent Fe, and one Si atom. The Si–Si bond length is 2.79 Å.