Ti(ZnN)2 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded in a distorted T-shaped geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing ZnN5 square pyramids. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), two equivalent Zn(2), and three equivalent Zn(1) atoms to form distorted NTiZn5 octahedra that share corners with two equivalent N(2)Ti2Zn4 octahedra, corners with two equivalent N(1)TiZn5 octahedra, edges with three equivalent N(1)TiZn5 octahedra, and edges with five equivalent N(2)Ti2Zn4 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second N site, N(2) is bonded to two equivalent Ti(1), two equivalent Zn(1), and two equivalent Zn(2) atoms to form distorted NTi2Zn4 octahedra that share corners with two equivalent N(2)Ti2Zn4 octahedra, corners with two equivalent N(1)TiZn5 octahedra, edges with two equivalent N(2)Ti2Zn4 octahedra, and edges with five equivalent N(1)TiZn5 octahedra. The corner-sharing octahedral tilt angles range from 7-19°.
Ti(ZnN)2 crystallizes in the monoclinic C2/m space group. Ti(1) is bonded in a distorted T-shaped geometry to one N(1) and two equivalent N(2) atoms. The Ti(1)-N(1) bond length is 1.90 Å. There is one shorter (1.92 Å) and one longer (2.07 Å) Ti(1)-N(2) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing ZnN5 square pyramids. There is one shorter (2.13 Å) and one longer (2.54 Å) Zn(1)-N(2) bond length. There are two shorter (2.17 Å) and one longer (2.49 Å) Zn(1)-N(1) bond length. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (2.12 Å) and one longer (2.14 Å) Zn(2)-N(1) bond length. Both Zn(2)-N(2) bond lengths are 2.19 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), two equivalent Zn(2), and three equivalent Zn(1) atoms to form distorted NTiZn5 octahedra that share corners with two equivalent N(2)Ti2Zn4 octahedra, corners with two equivalent N(1)TiZn5 octahedra, edges with three equivalent N(1)TiZn5 octahedra, and edges with five equivalent N(2)Ti2Zn4 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second N site, N(2) is bonded to two equivalent Ti(1), two equivalent Zn(1), and two equivalent Zn(2) atoms to form distorted NTi2Zn4 octahedra that share corners with two equivalent N(2)Ti2Zn4 octahedra, corners with two equivalent N(1)TiZn5 octahedra, edges with two equivalent N(2)Ti2Zn4 octahedra, and edges with five equivalent N(1)TiZn5 octahedra. The corner-sharing octahedral tilt angles range from 7-19°.