Materials Data on NdMn2 by Materials Project
NdMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to four Nd and twelve Mn atoms. There are a spread of Nd–Nd bond distances ranging from 3.20–3.31 Å. There are a spread of Nd–Mn bond distances ranging from 3.03–3.20 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to four Nd and twelve Mn atoms. There are one shorter (3.28 Å) and two longer (3.31 Å) Nd–Nd bond lengths. There are a spread of Nd–Mn bond distances ranging from 3.04–3.20 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.55 Å) and four longer (2.58 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 edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.57 Å) and four longer (2.59 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.62–2.85 Å. In the fourth Mn site, Mn is bonded to six Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra.