Materials Data on Tm3Fe2Ge3 by Materials Project

Abstract

Tm3Fe2Ge3 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 Ge atoms. All Tm–Fe bond lengths are 3.16 Å. There are a spread of Tm–Ge bond distances ranging from 2.85–3.23 Å. In the second Tm site, Tm is bonded in a 2-coordinate geometry to four equivalent Fe and seven Ge atoms. There are a spread of Tm–Fe bond distances ranging from 3.00–3.12 Å. There are a spread of Tm–Ge bond distances ranging from 2.93–3.28 Å. Fe is bonded in a 4-coordinate geometry to six Tm and four Ge atoms. There are a spread of Fe–Ge bond distances ranging from 2.35–2.59 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Tm and two equivalent Fe atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Tm, three equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.80 Å.