Materials Data on Sc2MnC by Materials Project

Abstract

Sc2MnC crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to four equivalent Sc and four equivalent C atoms to form distorted edge-sharing ScSc4C4 tetrahedra. All Sc–Sc bond lengths are 2.56 Å. All Sc–C bond lengths are 2.56 Å. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four equivalent Sc, four equivalent Mn, and six equivalent C atoms. All Sc–Mn bond lengths are 2.56 Å. All Sc–C bond lengths are 2.96 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent C atoms. All Mn–C bond lengths are 2.56 Å. C is bonded in a distorted body-centered cubic geometry to ten Sc and four equivalent Mn atoms.