Materials Data on TbFeSi2 by Materials Project

Abstract

TbFeSi2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to three equivalent Fe and nine Si atoms. There are two shorter (3.10 Å) and one longer (3.17 Å) Tb–Fe bond lengths. There are a spread of Tb–Si bond distances ranging from 2.89–3.20 Å. Fe is bonded in a 5-coordinate geometry to three equivalent Tb and five Si atoms. There are a spread of Fe–Si bond distances ranging from 2.24–2.33 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb, one Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.49 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Tb, four equivalent Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.48 Å.