Materials Data on Mn2Nb by Materials Project
NbMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb and twelve Mn atoms. There are three shorter (2.95 Å) and one longer (2.97 Å) Nb–Nb bond lengths. There are a spread of Nb–Mn bond distances ranging from 2.81–2.83 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nb and six Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.34–2.48 Å. In the second Mn site, Mn is bonded to six equivalent Nb and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnMn6Nb6 cuboctahedra.