Materials Data on Ta2BN3 by Materials Project
Ta2N3B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one boron molecule and one Ta2N3 framework. In the Ta2N3 framework, Ta3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded in a square co-planar geometry to four equivalent Ta3+ atoms.
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