Tc3N crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to six equivalent Tc(1) and six equivalent Tc(2) atoms to form TcTc12 cuboctahedra that share corners with six equivalent Tc(1)Tc12 cuboctahedra, corners with twelve equivalent N(1)Tc6 pentagonal pyramids, edges with six equivalent Tc(1)Tc12 cuboctahedra, faces with six equivalent Tc(1)Tc12 cuboctahedra, and faces with two equivalent N(1)Tc6 pentagonal pyramids. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to three equivalent Tc(1) and three equivalent N(1) atoms. N(1) is bonded to six equivalent Tc(2) atoms to form distorted NTc6 pentagonal pyramids that share corners with twelve equivalent Tc(1)Tc12 cuboctahedra, edges with six equivalent N(1)Tc6 pentagonal pyramids, and faces with two equivalent Tc(1)Tc12 cuboctahedra.
Tc3N crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to six equivalent Tc(1) and six equivalent Tc(2) atoms to form TcTc12 cuboctahedra that share corners with six equivalent Tc(1)Tc12 cuboctahedra, corners with twelve equivalent N(1)Tc6 pentagonal pyramids, edges with six equivalent Tc(1)Tc12 cuboctahedra, faces with six equivalent Tc(1)Tc12 cuboctahedra, and faces with two equivalent N(1)Tc6 pentagonal pyramids. All Tc(1)-Tc(1) bond lengths are 2.80 Å. All Tc(1)-Tc(2) bond lengths are 2.68 Å. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to three equivalent Tc(1) and three equivalent N(1) atoms. All Tc(2)-N(1) bond lengths are 2.13 Å. N(1) is bonded to six equivalent Tc(2) atoms to form distorted NTc6 pentagonal pyramids that share corners with twelve equivalent Tc(1)Tc12 cuboctahedra, edges with six equivalent N(1)Tc6 pentagonal pyramids, and faces with two equivalent Tc(1)Tc12 cuboctahedra.