Materials Data on YMn2SiC by Materials Project

Abstract

YMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ 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 (2.99 Å) Y–Si bond lengths. All Y–C bond lengths are 2.60 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C3- atom. There are two shorter (2.39 Å) and one longer (2.41 Å) Mn–Si bond lengths. The Mn–C bond length is 1.83 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Y3+ and six equivalent Mn2+ atoms. C3- is bonded to four equivalent Y3+ and two equivalent Mn2+ atoms to form a mixture of edge and corner-sharing CY4Mn2 octahedra. The corner-sharing octahedral tilt angles are 21°.