Materials Data on YFe2SiC by Materials Project

Abstract

YFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.92 Å) and two longer (2.96 Å) Y–Si bond lengths. All Y–C bond lengths are 2.57 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.36 Å) and one longer (2.37 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Y3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Y3+ and two equivalent Fe+2.50+ atoms to form a mixture of edge and corner-sharing CY4Fe2 octahedra. The corner-sharing octahedral tilt angles are 23°.