Materials Data on Nb3B2 by Materials Project
Nb3B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Nb–B bond lengths are 2.55 Å. In the second Nb2+ site, Nb2+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. There are four shorter (2.47 Å) and two longer (2.52 Å) Nb–B bond lengths. B3- is bonded in a 9-coordinate geometry to eight Nb2+ and one B3- atom. The B–B bond length is 1.86 Å.
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