Ti3Te4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form a mixture of corner, edge, and face-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the second Ti site, Ti(2) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form a mixture of distorted corner, edge, and face-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Ti(2) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Ti(2) atoms.
Ti3Te4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form a mixture of corner, edge, and face-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. Both Ti(1)-Te(2) bond lengths are 2.80 Å. All Ti(1)-Te(1) bond lengths are 2.86 Å. In the second Ti site, Ti(2) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form a mixture of distorted corner, edge, and face-sharing TiTe6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are two shorter (2.87 Å) and one longer (3.04 Å) Ti(2)-Te(1) bond length. There is one shorter (2.73 Å) and two longer (2.77 Å) Ti(2)-Te(2) bond lengths. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Ti(2) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ti(1) and three equivalent Ti(2) atoms.