Ti4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and four equivalent Te(2) atoms. In the second Ti site, Ti(2) is bonded in a distorted L-shaped geometry to two equivalent N(1) and two equivalent Te(1) atoms. In the third Ti site, Ti(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and three equivalent Te(2) atoms. N(1) is bonded in a see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Ti(3) atoms.
Ti4N2Te3 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and four equivalent Te(2) atoms. Both Ti(1)-N(1) bond lengths are 2.10 Å. The Ti(1)-Te(1) bond length is 2.97 Å. There are two shorter (3.04 Å) and two longer (3.10 Å) Ti(1)-Te(2) bond lengths. In the second Ti site, Ti(2) is bonded in a distorted L-shaped geometry to two equivalent N(1) and two equivalent Te(1) atoms. Both Ti(2)-N(1) bond lengths are 1.89 Å. There is one shorter (2.77 Å) and one longer (2.80 Å) Ti(2)-Te(1) bond length. In the third Ti site, Ti(3) is bonded in a distorted L-shaped geometry to two equivalent N(1), one Te(1), and three equivalent Te(2) atoms. There is one shorter (1.95 Å) and one longer (1.97 Å) Ti(3)-N(1) bond length. The Ti(3)-Te(1) bond length is 2.96 Å. There are a spread of Ti(3)-Te(2) bond distances ranging from 2.84-3.03 Å. N(1) is bonded in a see-saw-like geometry to one Ti(1), one Ti(2), and two equivalent Ti(3) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Ti(1), two equivalent Ti(2), and two equivalent Ti(3) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Ti(3) atoms.