TaN crystallizes in the hexagonal P-62m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. In the second Ta site, Ta(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner, edge, and face-sharing TaN6 pentagonal pyramids. N(1) is bonded to one Ta(1) and four equivalent Ta(2) atoms to form a mixture of distorted corner and edge-sharing NTa5 trigonal bipyramids.
TaN crystallizes in the hexagonal P-62m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. All Ta(1)-N(1) bond lengths are 2.04 Å. In the second Ta site, Ta(2) is bonded to six equivalent N(1) atoms to form a mixture of distorted corner, edge, and face-sharing TaN6 pentagonal pyramids. All Ta(2)-N(1) bond lengths are 2.17 Å. N(1) is bonded to one Ta(1) and four equivalent Ta(2) atoms to form a mixture of distorted corner and edge-sharing NTa5 trigonal bipyramids.