LaVS3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent S(1), three equivalent S(2), and four equivalent S(3) atoms. V(1) is bonded to one S(3), two equivalent S(2), and three equivalent S(1) atoms to form edge-sharing VS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent La(1) and three equivalent V(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent V(1) atoms. In the third S site, S(3) is bonded to four equivalent La(1) and one V(1) atom to form a mixture of distorted edge and corner-sharing SLa4V square pyramids.
LaVS3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 9-coordinate geometry to two equivalent S(1), three equivalent S(2), and four equivalent S(3) atoms. There is one shorter (3.00 Å) and one longer (3.21 Å) La(1)-S(1) bond length. There are two shorter (2.98 Å) and one longer (3.00 Å) La(1)-S(2) bond length. There are two shorter (2.98 Å) and two longer (3.02 Å) La(1)-S(3) bond lengths. V(1) is bonded to one S(3), two equivalent S(2), and three equivalent S(1) atoms to form edge-sharing VS6 octahedra. The V(1)-S(3) bond length is 2.48 Å. Both V(1)-S(2) bond lengths are 2.52 Å. There is one shorter (2.30 Å) and two longer (2.46 Å) V(1)-S(1) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent La(1) and three equivalent V(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent V(1) atoms. In the third S site, S(3) is bonded to four equivalent La(1) and one V(1) atom to form a mixture of distorted edge and corner-sharing SLa4V square pyramids.