Ta5N6 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a hexagonal planar geometry to six equivalent N(1) atoms. In the second Ta site, Ta(2) is bonded in a distorted hexagonal planar geometry to six equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to two equivalent Ta(1) and three equivalent Ta(2) atoms.
Ta5N6 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a hexagonal planar geometry to six equivalent N(1) atoms. All Ta(1)-N(1) bond lengths are 2.25 Å. In the second Ta site, Ta(2) is bonded in a distorted hexagonal planar geometry to six equivalent N(1) atoms. There are two shorter (2.17 Å) and four longer (2.27 Å) Ta(2)-N(1) bond lengths. N(1) is bonded in a 5-coordinate geometry to two equivalent Ta(1) and three equivalent Ta(2) atoms.