MgVCu3S4 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. V(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(1) atoms. Cu(1) is bonded in a 4-coordinate geometry to one S(2) and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted pentagonal planar geometry to one Mg(1), one V(1), and three equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to one V(1) and three equivalent Cu(1) atoms.
MgVCu3S4 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. All Mg(1)-S(1) bond lengths are 2.48 Å. V(1) is bonded in a tetrahedral geometry to one S(2) and three equivalent S(1) atoms. The V(1)-S(2) bond length is 2.27 Å. All V(1)-S(1) bond lengths are 2.30 Å. Cu(1) is bonded in a 4-coordinate geometry to one S(2) and three equivalent S(1) atoms. The Cu(1)-S(2) bond length is 2.31 Å. There are two shorter (2.36 Å) and one longer (2.43 Å) Cu(1)-S(1) bond length. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted pentagonal planar geometry to one Mg(1), one V(1), and three equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to one V(1) and three equivalent Cu(1) atoms.