Materials Data on Yb2FeC4 by Materials Project

Abstract

Yb2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Yb+2.50+ is bonded in a 7-coordinate geometry to nine C2- atoms. There are a spread of Yb–C bond distances ranging from 2.50–2.86 Å. Fe3+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CYb5C octahedra and edges with two equivalent FeC4 trigonal pyramids. The corner-sharing octahedral tilt angles are 41°. All Fe–C bond lengths are 1.95 Å. There are two inequivalent C2- sites. In the first C2- site, C2- is bonded to five equivalent Yb+2.50+ and one C2- atom to form distorted CYb5C octahedra that share corners with six equivalent CYb5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CYb5C octahedra. The corner-sharing octahedra tilt angles range from 8–58°. The C–C bond length is 1.31 Å. In the second C2- site, C2- is bonded in a 7-coordinate geometry to four equivalent Yb+2.50+, two equivalent Fe3+, and one C2- atom.