Materials Data on Lu2Fe2Si2C by Materials Project

Abstract

Lu2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded in a distorted water-like geometry to five equivalent Si4- and two equivalent C4- atoms. There are three shorter (2.96 Å) and two longer (2.98 Å) Lu–Si bond lengths. Both Lu–C bond lengths are 2.52 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.27 Å) and one longer (2.30 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Lu3+, three equivalent Fe3+, and one Si4- atom. The Si–Si bond length is 2.61 Å. C4- is bonded to four equivalent Lu3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CLu4Fe2 octahedra.