Materials Data on Ta3B2 by Materials Project

Ta3B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a square co-planar geometry to four equivalent B atoms. All Ta–B bond lengths are 2.53 Å. In the second Ta site, Ta is bonded in a distorted hexagonal planar geometry to six equivalent B atoms. There are four shorter (2.46 Å) and two longer (2.51 Å) Ta–B bond lengths. B is bonded in a 9-coordinate geometry to eight Ta and one B atom. The B–B bond length is 1.90 Å.