Co3Bi3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted see-saw-like geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Co site, Co(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing CoN4 tetrahedra. In the third Co site, Co(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing CoN4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one N(2) atom. In the second Bi site, Bi(2) is bonded in a distorted L-shaped geometry to two equivalent N(5) atoms. In the third Bi site, Bi(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 five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Bi(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Bi(1), and one Bi(3) atom. In the third N site, N(3) is bonded to two equivalent Co(1) and two equivalent Bi(3) atoms to form distorted edge-sharing NCo2Bi2 tetrahedra. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Co(3), two equivalent Co(2), and one Bi(3) atom. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), and two equivalent Bi(2) atoms.
Co3Bi3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted see-saw-like geometry to one N(1), one N(5), and two equivalent N(3) atoms. The Co(1)-N(1) bond length is 1.89 Å. The Co(1)-N(5) bond length is 1.96 Å. There is one shorter (1.82 Å) and one longer (1.97 Å) Co(1)-N(3) bond length. In the second Co site, Co(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing CoN4 tetrahedra. The Co(2)-N(1) bond length is 1.86 Å. The Co(2)-N(2) bond length is 1.96 Å. There is one shorter (1.80 Å) and one longer (1.95 Å) Co(2)-N(4) bond length. In the third Co site, Co(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing CoN4 tetrahedra. The Co(3)-N(1) bond length is 1.93 Å. The Co(3)-N(2) bond length is 1.81 Å. The Co(3)-N(4) bond length is 1.79 Å. The Co(3)-N(5) bond length is 1.94 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one N(2) atom. The Bi(1)-N(2) bond length is 2.28 Å. In the second Bi site, Bi(2) is bonded in a distorted L-shaped geometry to two equivalent N(5) atoms. There is one shorter (2.31 Å) and one longer (2.36 Å) Bi(2)-N(5) bond length. In the third Bi site, Bi(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 Bi(3)-N(1) bond length is 2.42 Å. The Bi(3)-N(2) bond length is 2.47 Å. The Bi(3)-N(4) bond length is 2.70 Å. There is one shorter (2.40 Å) and one longer (2.52 Å) Bi(3)-N(3) bond length. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Bi(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Bi(1), and one Bi(3) atom. In the third N site, N(3) is bonded to two equivalent Co(1) and two equivalent Bi(3) atoms to form distorted edge-sharing NCo2Bi2 tetrahedra. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Co(3), two equivalent Co(2), and one Bi(3) atom. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), and two equivalent Bi(2) atoms.