Materials Data on TiMn2 by Materials Project
TiMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti and twelve Mn atoms. There are three shorter (2.91 Å) and one longer (2.92 Å) Ti–Ti bond lengths. All Ti–Mn bond lengths are 2.78 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Ti and six equivalent Mn atoms to form a mixture of edge, face, and corner-sharing MnTi6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.41 Å. In the second Mn site, Mn is bonded to six equivalent Ti and six Mn atoms to form a mixture of edge, face, and corner-sharing MnTi6Mn6 cuboctahedra. There are two shorter (2.29 Å) and two longer (2.45 Å) Mn–Mn bond lengths.