MgNb2(SCl)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one S(1), one S(2), one S(3), and two equivalent Cl(2) atoms. Nb(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(3), one S(4), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Nb(1), and one S(4) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Nb(1) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Nb(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one S(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to two equivalent Nb(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Nb(1) atoms.
MgNb2(SCl)4 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one S(1), one S(2), one S(3), and two equivalent Cl(2) atoms. The Mg(1)-S(1) bond length is 2.61 Å. The Mg(1)-S(2) bond length is 2.44 Å. The Mg(1)-S(3) bond length is 2.39 Å. Both Mg(1)-Cl(2) bond lengths are 2.70 Å. Nb(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(3), one S(4), two equivalent Cl(1), and two equivalent Cl(2) atoms. The Nb(1)-S(1) bond length is 2.49 Å. The Nb(1)-S(2) bond length is 2.50 Å. The Nb(1)-S(3) bond length is 2.54 Å. The Nb(1)-S(4) bond length is 2.56 Å. There is one shorter (2.62 Å) and one longer (2.64 Å) Nb(1)-Cl(1) bond length. There is one shorter (2.66 Å) and one longer (2.70 Å) Nb(1)-Cl(2) bond length. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Nb(1), and one S(4) atom. The S(1)-S(4) bond length is 2.12 Å. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Nb(1) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Nb(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one S(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to two equivalent Nb(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Nb(1) atoms.