Materials Data on SmMn2 by Materials Project

Abstract

SmMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm and twelve Mn atoms. There are a spread of Sm–Sm bond distances ranging from 3.17–3.29 Å. There are a spread of Sm–Mn bond distances ranging from 3.03–3.18 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSm6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.58 Å. In the second Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSm6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.64–2.80 Å. In the third Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of face, edge, and corner-sharing MnSm6Mn6 cuboctahedra.