Materials Data on ScMn2 by Materials Project

Abstract

Mn2Sc is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Mn atoms. There are three shorter (3.00 Å) and one longer (3.01 Å) Sc–Sc bond lengths. All Sc–Mn bond lengths are 2.87 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sc and six equivalent Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.48 Å. In the second Mn site, Mn is bonded to six equivalent Sc and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSc6Mn6 cuboctahedra. There are two shorter (2.38 Å) and two longer (2.51 Å) Mn–Mn bond lengths.