Materials Data on UFe2SiC by Materials Project

Abstract

UFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are two shorter (2.98 Å) and one longer (3.02 Å) U–Si bond lengths. All U–C bond lengths are 2.56 Å. Fe+2.50+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.34 Å. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent U3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent U3+ and two equivalent Fe+2.50+ atoms to form a mixture of distorted edge and corner-sharing CU4Fe2 octahedra. The corner-sharing octahedral tilt angles are 31°.