Materials Data on SmMn2SiC by Materials Project

Abstract

SmMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C3- atoms. There are one shorter (2.98 Å) and two longer (3.02 Å) Sm–Si bond lengths. All Sm–C bond lengths are 2.63 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C3- atom. There are two shorter (2.42 Å) and one longer (2.44 Å) Mn–Si bond lengths. The Mn–C bond length is 1.84 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Mn2+ atoms. C3- is bonded to four equivalent Sm3+ and two equivalent Mn2+ atoms to form a mixture of edge and corner-sharing CSm4Mn2 octahedra. The corner-sharing octahedral tilt angles are 21°.