Materials Data on Tb2FeC4 by Materials Project

Abstract

Tb2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Tb–C bond distances ranging from 2.42–2.70 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CTb5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 42°. All Fe–C bond lengths are 1.92 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Tb3+ and one C2- atom to form distorted CTb5C octahedra that share corners with six equivalent CTb5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CTb5C octahedra. The corner-sharing octahedra tilt angles range from 8–55°. The C–C bond length is 1.38 Å. In the second C2- site, C2- is bonded in a 5-coordinate geometry to two equivalent Tb3+, two equivalent Fe2+, and one C2- atom.