Materials Data on Mn5C2 by Materials Project

Abstract

Mn5C2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 2-coordinate geometry to three equivalent C atoms. There are two shorter (1.97 Å) and one longer (2.23 Å) Mn–C bond lengths. In the second Mn site, Mn is bonded to four equivalent C atoms to form distorted edge-sharing MnC4 tetrahedra. There are two shorter (2.01 Å) and two longer (2.03 Å) Mn–C bond lengths. In the third Mn site, Mn is bonded in a bent 150 degrees geometry to two equivalent C atoms. There is one shorter (1.98 Å) and one longer (2.01 Å) Mn–C bond length. C is bonded in a 7-coordinate geometry to seven Mn atoms.