Materials Data on NdMn2 by Materials Project

Abstract

NdMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Nd and twelve Mn atoms. There are a spread of Nd–Nd bond distances ranging from 3.12–3.38 Å. There are a spread of Nd–Mn bond distances ranging from 3.02–3.26 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.74 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.68 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are one shorter (2.70 Å) and one longer (2.88 Å) Mn–Mn bond lengths.