Materials Data on Tb3Fe2Si3 by Materials Project

Abstract

Tb3Fe2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Fe and five Si atoms. All Tb–Fe bond lengths are 3.20 Å. There are a spread of Tb–Si bond distances ranging from 2.87–3.31 Å. In the second Tb site, Tb is bonded in a 10-coordinate geometry to four equivalent Fe and six Si atoms. There are a spread of Tb–Fe bond distances ranging from 3.01–3.16 Å. There are a spread of Tb–Si bond distances ranging from 2.95–3.15 Å. Fe is bonded in a 10-coordinate geometry to six Tb and four Si atoms. There are a spread of Fe–Si bond distances ranging from 2.32–2.60 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Tb and two equivalent Fe atoms. In the second Si site, Si is bonded in a 10-coordinate geometry to five Tb and three equivalent Fe atoms.