Materials Data on ErMn2SiC by Materials Project

Abstract

ErMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C3- atoms. There are one shorter (2.95 Å) and two longer (2.97 Å) Er–Si bond lengths. All Er–C bond lengths are 2.58 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C3- atom. There are two shorter (2.37 Å) and one longer (2.40 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 Er3+ and six equivalent Mn2+ atoms. C3- is bonded to four equivalent Er3+ and two equivalent Mn2+ atoms to form a mixture of edge and corner-sharing CEr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 21°.