Ti7Ni3N10 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 a mixture of distorted corner and edge-sharing TiN6 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 a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent N(3) and four equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent N(3) and four equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. 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 Ni(2) atoms to form a mixture of distorted face, corner, and edge-sharing NTi4Ni2 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 Ni(1), and one Ni(2) atom to form a mixture of distorted face, corner, and edge-sharing NTi4Ni2 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 Ni(1) atom.
Ti7Ni3N10 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 2.09 Å. Both Ti(1)-N(2) bond lengths are 2.15 Å. Both Ti(1)-N(3) bond lengths are 2.11 Å. In the second Ti site, Ti(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. Both Ti(2)-N(2) bond lengths are 2.12 Å. There are two shorter (2.12 Å) and two longer (2.17 Å) Ti(2)-N(1) bond lengths. 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 a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. Both Ti(3)-N(1) bond lengths are 2.14 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 a mixture of distorted corner and edge-sharing TiN6 pentagonal pyramids. Both Ti(4)-N(3) bond lengths are 2.18 Å. All Ti(4)-N(2) bond lengths are 2.14 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent N(3) and four equivalent N(2) atoms. Both Ni(1)-N(3) bond lengths are 2.54 Å. All Ni(1)-N(2) bond lengths are 1.99 Å. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. Both Ni(2)-N(2) bond lengths are 2.17 Å. There are two shorter (2.03 Å) and two longer (2.24 Å) Ni(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 Ni(2) atoms to form a mixture of distorted face, corner, and edge-sharing NTi4Ni2 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 Ni(1), and one Ni(2) atom to form a mixture of distorted face, corner, and edge-sharing NTi4Ni2 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 Ni(1) atom.