Materials Data on ThMn2SiC by Materials Project

Abstract

ThMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.03 Å) and two longer (3.05 Å) Th–Si bond lengths. All Th–C bond lengths are 2.67 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.43 Å) and one longer (2.46 Å) Mn–Si bond lengths. The Mn–C bond length is 1.86 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Th4+ and six equivalent Mn2+ atoms. C4- is bonded to four equivalent Th4+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing CTh4Mn2 octahedra. The corner-sharing octahedral tilt angles are 24°.