V3S4 is Corundum-like structured and crystallizes in the hexagonal P6_3/m space group. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted face, corner, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent V(1) atoms. In the second S site, S(1) is bonded to six equivalent V(1) atoms to form distorted face-sharing SV6 pentagonal pyramids.
V3S4 is Corundum-like structured and crystallizes in the hexagonal P6_3/m space group. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of distorted face, corner, and edge-sharing VS6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. Both V(1)-S(1) bond lengths are 2.44 Å. There are three shorter (2.32 Å) and one longer (2.53 Å) V(1)-S(2) bond length. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent V(1) atoms. In the second S site, S(1) is bonded to six equivalent V(1) atoms to form distorted face-sharing SV6 pentagonal pyramids.