Ba4CoN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. In the third Ba site, Ba(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Ba site, Ba(4) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(4), and two equivalent N(1) atoms. Co(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(3), two equivalent Ba(4), and one Co(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), and one Co(1) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Co(1) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), two equivalent Ba(2), and one Co(1) atom.
Ba4CoN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. The Ba(1)-N(1) bond length is 3.22 Å. The Ba(1)-N(4) bond length is 3.07 Å. There is one shorter (2.91 Å) and one longer (2.96 Å) Ba(1)-N(2) bond length. There is one shorter (2.78 Å) and one longer (2.93 Å) Ba(1)-N(3) bond length. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent N(2), two equivalent N(3), and two equivalent N(4) atoms. There is one shorter (2.87 Å) and one longer (2.91 Å) Ba(2)-N(2) bond length. There is one shorter (2.84 Å) and one longer (2.85 Å) Ba(2)-N(3) bond length. There is one shorter (2.89 Å) and one longer (3.14 Å) Ba(2)-N(4) bond length. In the third Ba site, Ba(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. The Ba(3)-N(3) bond length is 2.76 Å. The Ba(3)-N(4) bond length is 3.04 Å. There is one shorter (2.69 Å) and one longer (2.74 Å) Ba(3)-N(1) bond length. In the fourth Ba site, Ba(4) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(4), and two equivalent N(1) atoms. The Ba(4)-N(2) bond length is 2.95 Å. The Ba(4)-N(4) bond length is 2.86 Å. Both Ba(4)-N(1) bond lengths are 2.68 Å. Co(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Co(1)-N(1) bond length is 1.84 Å. The Co(1)-N(2) bond length is 1.80 Å. The Co(1)-N(3) bond length is 1.82 Å. The Co(1)-N(4) bond length is 1.78 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(3), two equivalent Ba(4), and one Co(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), and one Co(1) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Co(1) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Ba(4), two equivalent Ba(2), and one Co(1) atom.