MgV2S4(N3Cl2)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one N(1), one N(3), one Cl(2), and one Cl(3) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one N(2), one N(4), one N(6), one Cl(1), one Cl(3), and one Cl(4) atom to form distorted edge-sharing VN3Cl3 octahedra. In the second V site, V(2) is bonded to one N(2), one N(5), one N(6), one Cl(1), one Cl(2), and one Cl(3) atom to form distorted edge-sharing VN3Cl3 octahedra. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Mg(1), one S(2), and one S(3) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one S(4) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one S(1), and one S(4) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one V(1) and one S(1) atom. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one S(3) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one S(2) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted water-like geometry to one N(3) and one N(4) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(6) atom. In the third S site, S(3) is bonded in a water-like geometry to one N(1) and one N(5) atom. In the fourth S site, S(4) is bonded in a bent 120 degrees geometry to one N(2) and one N(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(2) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one V(1) atom.
MgV2S4(N3Cl2)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one N(1), one N(3), one Cl(2), and one Cl(3) atom. The Mg(1)-N(1) bond length is 2.12 Å. The Mg(1)-N(3) bond length is 2.24 Å. The Mg(1)-Cl(2) bond length is 2.32 Å. The Mg(1)-Cl(3) bond length is 2.42 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one N(2), one N(4), one N(6), one Cl(1), one Cl(3), and one Cl(4) atom to form distorted edge-sharing VN3Cl3 octahedra. The V(1)-N(2) bond length is 1.90 Å. The V(1)-N(4) bond length is 1.74 Å. The V(1)-N(6) bond length is 2.29 Å. The V(1)-Cl(1) bond length is 2.51 Å. The V(1)-Cl(3) bond length is 2.66 Å. The V(1)-Cl(4) bond length is 2.30 Å. In the second V site, V(2) is bonded to one N(2), one N(5), one N(6), one Cl(1), one Cl(2), and one Cl(3) atom to form distorted edge-sharing VN3Cl3 octahedra. The V(2)-N(2) bond length is 2.23 Å. The V(2)-N(5) bond length is 1.77 Å. The V(2)-N(6) bond length is 1.82 Å. The V(2)-Cl(1) bond length is 2.43 Å. The V(2)-Cl(2) bond length is 2.45 Å. The V(2)-Cl(3) bond length is 2.72 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Mg(1), one S(2), and one S(3) atom. The N(1)-S(2) bond length is 1.64 Å. The N(1)-S(3) bond length is 1.67 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one S(4) atom. The N(2)-S(4) bond length is 1.58 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one S(1), and one S(4) atom. The N(3)-S(1) bond length is 1.68 Å. The N(3)-S(4) bond length is 1.62 Å. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one V(1) and one S(1) atom. The N(4)-S(1) bond length is 1.57 Å. In the fifth N site, N(5) is bonded in a distorted bent 150 degrees geometry to one V(2) and one S(3) atom. The N(5)-S(3) bond length is 1.55 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one S(2) atom. The N(6)-S(2) bond length is 1.59 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted water-like geometry to one N(3) and one N(4) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one N(1) and one N(6) atom. In the third S site, S(3) is bonded in a water-like geometry to one N(1) and one N(5) atom. In the fourth S site, S(4) is bonded in a bent 120 degrees geometry to one N(2) and one N(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(2) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one V(1) atom.