Ba3Co3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and two equivalent N(5) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form edge-sharing CoN4 tetrahedra. In the second Co site, Co(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the third Co site, Co(3) is bonded in a trigonal planar geometry to one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Ba(3), one Co(1), and one Co(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Co(2), and one Co(3) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent Co(1) atoms. In the fourth N site, N(4) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), one Ba(3), one Co(2), and one Co(3) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Ba(1), two equivalent Ba(2), one Co(1), and one Co(3) atom.
Ba3Co3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and two equivalent N(2) atoms. The Ba(1)-N(1) bond length is 2.76 Å. The Ba(1)-N(3) bond length is 2.76 Å. The Ba(1)-N(4) bond length is 2.86 Å. The Ba(1)-N(5) bond length is 3.01 Å. There is one shorter (2.74 Å) and one longer (2.84 Å) Ba(1)-N(2) bond length. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and two equivalent N(5) atoms. The Ba(2)-N(1) bond length is 2.69 Å. The Ba(2)-N(2) bond length is 2.90 Å. The Ba(2)-N(3) bond length is 3.11 Å. The Ba(2)-N(4) bond length is 2.92 Å. There is one shorter (2.88 Å) and one longer (3.14 Å) Ba(2)-N(5) bond length. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. The Ba(3)-N(1) bond length is 3.04 Å. The Ba(3)-N(2) bond length is 2.77 Å. The Ba(3)-N(4) bond length is 2.86 Å. There is one shorter (2.83 Å) and one longer (2.93 Å) Ba(3)-N(3) bond length. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form edge-sharing CoN4 tetrahedra. The Co(1)-N(1) bond length is 1.76 Å. The Co(1)-N(5) bond length is 1.84 Å. There is one shorter (1.88 Å) and one longer (1.92 Å) Co(1)-N(3) bond length. In the second Co site, Co(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. The Co(2)-N(1) bond length is 1.74 Å. The Co(2)-N(2) bond length is 1.84 Å. The Co(2)-N(4) bond length is 1.75 Å. In the third Co site, Co(3) is bonded in a trigonal planar geometry to one N(2), one N(4), and one N(5) atom. The Co(3)-N(2) bond length is 1.83 Å. The Co(3)-N(4) bond length is 1.76 Å. The Co(3)-N(5) bond length is 1.76 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), one Ba(3), one Co(1), and one Co(2) atom. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Co(2), and one Co(3) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), and two equivalent Co(1) atoms. In the fourth N site, N(4) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Ba(2), one Ba(3), one Co(2), and one Co(3) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one Ba(1), two equivalent Ba(2), one Co(1), and one Co(3) atom.