Ti7Co3N10 is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Ti site, Ti(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted TiN6 pentagonal pyramids that share corners with two equivalent Ti(4)N6 pentagonal pyramids, corners with four equivalent Ti(2)N6 pentagonal pyramids, corners with four equivalent Ti(3)N6 pentagonal pyramids,  an edgeedge with one Ti(3)N6 pentagonal pyramid, edges with two equivalent Co(2)N6 pentagonal pyramids, and faces with two equivalent Co(2)N6 pentagonal pyramids. In the third Ti site, Ti(3) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form distorted TiN6 pentagonal pyramids that share corners with two equivalent Co(2)N6 pentagonal pyramids, corners with four equivalent Ti(2)N6 pentagonal pyramids,  an edgeedge with one Ti(2)N6 pentagonal pyramid,  an edgeedge with one Ti(3)N6 pentagonal pyramid, edges with two equivalent Ti(4)N6 pentagonal pyramids, and edges with two equivalent Co(2)N6 pentagonal pyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent N(3) and four equivalent N(2) atoms to form distorted TiN6 pentagonal pyramids that share corners with four equivalent Ti(2)N6 pentagonal pyramids, edges with two equivalent Co(2)N6 pentagonal pyramids, and edges with four equivalent Ti(3)N6 pentagonal pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to two equivalent N(3) and four equivalent N(2) atoms. In the second Co site, Co(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted CoN6 pentagonal pyramids that share corners with two equivalent Ti(3)N6 pentagonal pyramids, corners with four equivalent Co(2)N6 pentagonal pyramids,  an edgeedge with one Ti(4)N6 pentagonal pyramid, edges with two equivalent Ti(2)N6 pentagonal pyramids, edges with two equivalent Ti(3)N6 pentagonal pyramids, and faces with two equivalent Ti(2)N6 pentagonal pyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(3), two equivalent Ti(2), and two equivalent Co(2) atoms to form a mixture of distorted face, corner, and edge-sharing NTi4Co2 pentagonal pyramids. In the second N site, N(2) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), one Co(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing NTi4Co2 pentagonal pyramids. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ti(4), two equivalent Ti(1), two equivalent Ti(3), and one Co(1) atom.
Ti7Co3N10 is Tungsten Carbide-derived structured and crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Both Ti(1)-N(1) bond lengths are 2.11 Å. Both Ti(1)-N(2) bond lengths are 2.13 Å. Both Ti(1)-N(3) bond lengths are 2.09 Å. In the second Ti site, Ti(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted TiN6 pentagonal pyramids that share corners with two equivalent Ti(4)N6 pentagonal pyramids, corners with four equivalent Ti(2)N6 pentagonal pyramids, corners with four equivalent Ti(3)N6 pentagonal pyramids,  an edgeedge with one Ti(3)N6 pentagonal pyramid, edges with two equivalent Co(2)N6 pentagonal pyramids, and faces with two equivalent Co(2)N6 pentagonal pyramids. Both Ti(2)-N(2) bond lengths are 2.10 Å. All Ti(2)-N(1) bond lengths are 2.13 Å. In the third Ti site, Ti(3) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form distorted TiN6 pentagonal pyramids that share corners with two equivalent Co(2)N6 pentagonal pyramids, corners with four equivalent Ti(2)N6 pentagonal pyramids,  an edgeedge with one Ti(2)N6 pentagonal pyramid,  an edgeedge with one Ti(3)N6 pentagonal pyramid, edges with two equivalent Ti(4)N6 pentagonal pyramids, and edges with two equivalent Co(2)N6 pentagonal pyramids. Both Ti(3)-N(1) bond lengths are 2.12 Å. Both Ti(3)-N(2) bond lengths are 2.11 Å. Both Ti(3)-N(3) bond lengths are 2.07 Å. In the fourth Ti site, Ti(4) is bonded to two equivalent N(3) and four equivalent N(2) atoms to form distorted TiN6 pentagonal pyramids that share corners with four equivalent Ti(2)N6 pentagonal pyramids, edges with two equivalent Co(2)N6 pentagonal pyramids, and edges with four equivalent Ti(3)N6 pentagonal pyramids. Both Ti(4)-N(3) bond lengths are 2.15 Å. All Ti(4)-N(2) bond lengths are 2.13 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to two equivalent N(3) and four equivalent N(2) atoms. Both Co(1)-N(3) bond lengths are 2.48 Å. All Co(1)-N(2) bond lengths are 1.99 Å. In the second Co site, Co(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted CoN6 pentagonal pyramids that share corners with two equivalent Ti(3)N6 pentagonal pyramids, corners with four equivalent Co(2)N6 pentagonal pyramids,  an edgeedge with one Ti(4)N6 pentagonal pyramid, edges with two equivalent Ti(2)N6 pentagonal pyramids, edges with two equivalent Ti(3)N6 pentagonal pyramids, and faces with two equivalent Ti(2)N6 pentagonal pyramids. Both Co(2)-N(2) bond lengths are 2.18 Å. There are two shorter (2.06 Å) and two longer (2.16 Å) Co(2)-N(1) bond lengths. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(3), two equivalent Ti(2), and two equivalent Co(2) atoms to form a mixture of distorted face, corner, and edge-sharing NTi4Co2 pentagonal pyramids. In the second N site, N(2) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), one Co(1), and one Co(2) atom to form a mixture of distorted face, corner, and edge-sharing NTi4Co2 pentagonal pyramids. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Ti(4), two equivalent Ti(1), two equivalent Ti(3), and one Co(1) atom.