V3S crystallizes in the tetragonal I-42m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted water-like geometry to two equivalent S(1) atoms. In the second V site, V(3) is bonded in a distorted water-like geometry to two equivalent S(1) atoms. In the third V site, V(2) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing VS4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent V(3), and four equivalent V(2) atoms.
V3S crystallizes in the tetragonal I-42m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted water-like geometry to two equivalent S(1) atoms. Both V(1)-S(1) bond lengths are 2.33 Å. In the second V site, V(3) is bonded in a distorted water-like geometry to two equivalent S(1) atoms. Both V(3)-S(1) bond lengths are 2.36 Å. In the third V site, V(2) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing VS4 tetrahedra. There are two shorter (2.36 Å) and two longer (2.40 Å) V(2)-S(1) bond lengths. S(1) is bonded in a 8-coordinate geometry to two equivalent V(1), two equivalent V(3), and four equivalent V(2) atoms.