Materials Data on Tb2Fe2Si2C by Materials Project

Abstract

Tb2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb3+ is bonded in a 1-coordinate geometry to five equivalent Si4- and one C4- atom. There are a spread of Tb–Si bond distances ranging from 2.82–3.53 Å. The Tb–C bond length is 2.48 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are one shorter (2.43 Å) and two longer (2.44 Å) Fe–Si bond lengths. The Fe–C bond length is 1.82 Å. Si4- is bonded in a 11-coordinate geometry to five equivalent Tb3+, three equivalent Fe3+, one Si4-, and two equivalent C4- atoms. The Si–Si bond length is 2.42 Å. Both Si–C bond lengths are 2.55 Å. C4- is bonded in a distorted square co-planar geometry to two equivalent Tb3+, two equivalent Fe3+, and four equivalent Si4- atoms.