Materials Data on TaMn2 by Materials Project

Abstract

TaMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to four equivalent Ta and twelve Mn atoms. All Ta–Ta bond lengths are 2.95 Å. All Ta–Mn bond lengths are 2.82 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Ta and six equivalent Mn atoms to form a mixture of corner, edge, and face-sharing MnTa6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.44 Å. In the second Mn site, Mn is bonded to six equivalent Ta and six Mn atoms to form a mixture of corner, edge, and face-sharing MnTa6Mn6 cuboctahedra. There are two shorter (2.33 Å) and two longer (2.48 Å) Mn–Mn bond lengths.