TaCo2N3 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), and three equivalent N(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one N(1), one N(4), and two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(4) is bonded to two equivalent Ta(1), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted edge-sharing NTa2Co4 octahedra. In the second N site, N(1) is bonded to two equivalent Ta(1) and two equivalent Co(2) atoms to form edge-sharing NTa2Co2 trigonal pyramids. In the third N site, N(2) is bonded in a 5-coordinate geometry to one Ta(1), two equivalent Co(1), and two equivalent Co(2) atoms. In the fourth N site, N(3) is bonded in a 4-coordinate geometry to three equivalent Ta(1) and one Co(1) atom.
TaCo2N3 crystallizes in the monoclinic C2/c space group. Ta(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), and three equivalent N(3) atoms. The Ta(1)-N(1) bond length is 2.04 Å. The Ta(1)-N(2) bond length is 2.18 Å. The Ta(1)-N(4) bond length is 2.07 Å. There are a spread of Ta(1)-N(3) bond distances ranging from 1.97-2.29 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(2) atoms. The Co(1)-N(3) bond length is 1.90 Å. The Co(1)-N(4) bond length is 1.97 Å. There is one shorter (1.94 Å) and one longer (2.08 Å) Co(1)-N(2) bond length. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one N(1), one N(4), and two equivalent N(2) atoms. The Co(2)-N(1) bond length is 1.88 Å. The Co(2)-N(4) bond length is 2.32 Å. There is one shorter (1.85 Å) and one longer (1.92 Å) Co(2)-N(2) bond length. There are four inequivalent N sites. In the first N site, N(4) is bonded to two equivalent Ta(1), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted edge-sharing NTa2Co4 octahedra. In the second N site, N(1) is bonded to two equivalent Ta(1) and two equivalent Co(2) atoms to form edge-sharing NTa2Co2 trigonal pyramids. In the third N site, N(2) is bonded in a 5-coordinate geometry to one Ta(1), two equivalent Co(1), and two equivalent Co(2) atoms. In the fourth N site, N(3) is bonded in a 4-coordinate geometry to three equivalent Ta(1) and one Co(1) atom.