TiVS2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of distorted face, corner, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Ti(1) and four equivalent V(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Ti(1) and two equivalent V(1) atoms.
TiVS2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. There is one shorter (2.37 Å) and one longer (2.63 Å) Ti(1)-S(1) bond length. There are two shorter (2.45 Å) and two longer (2.54 Å) Ti(1)-S(2) bond lengths. V(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of distorted face, corner, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles are 46°. There is one shorter (2.36 Å) and one longer (2.51 Å) V(1)-S(2) bond length. There are two shorter (2.38 Å) and two longer (2.53 Å) V(1)-S(1) bond lengths. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Ti(1) and four equivalent V(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Ti(1) and two equivalent V(1) atoms.