Materials Data on Ce2Fe2Si2C by Materials Project

Abstract

Ce2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Ce–Si bond distances ranging from 3.04–3.10 Å. Both Ce–C bond lengths are 2.63 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.32 Å. The Fe–C bond length is 1.80 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ce3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.75 Å. C4- is bonded to four equivalent Ce3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CCe4Fe2 octahedra.