Materials Data on UMn2SiC by Materials Project

Abstract

UMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U4+ 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 (2.99 Å) U–Si bond lengths. All U–C bond lengths are 2.57 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.34 Å) and one longer (2.36 Å) Mn–Si bond lengths. The Mn–C bond length is 1.82 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent U4+ and six equivalent Mn2+ atoms. C4- is bonded to four equivalent U4+ and two equivalent Mn2+ atoms to form a mixture of distorted corner and edge-sharing CU4Mn2 octahedra. The corner-sharing octahedral tilt angles are 26°.