Materials Data on Y2FeC4 by Materials Project
Y2FeC4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven C2- atoms. There are a spread of Y–C bond distances ranging from 2.41–2.69 Å. Fe2+ is bonded to four equivalent C2- atoms to form distorted FeC4 trigonal pyramids that share corners with four equivalent CY5C 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 Y3+ and one C2- atom to form distorted CY5C octahedra that share corners with six equivalent CY5C octahedra, corners with two equivalent FeC4 trigonal pyramids, and edges with seven equivalent CY5C octahedra. The corner-sharing octahedra tilt angles range from 8–54°. 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 Y3+, two equivalent Fe2+, and one C2- atom.