MgCu2(IrS2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent S(2) atoms. Ir(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent S(1), and three equivalent S(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to four equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ir(1) and one Cu(2) atom. In the second S site, S(2) is bonded in a distorted linear geometry to one Mg(1), three equivalent Ir(1), and one Cu(1) atom.
MgCu2(IrS2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a body-centered cubic geometry to four equivalent Ir(1) and four equivalent S(2) atoms. All Mg(1)-Ir(1) bond lengths are 2.41 Å. All Mg(1)-S(2) bond lengths are 2.23 Å. Ir(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent S(1), and three equivalent S(2) atoms. All Ir(1)-S(1) bond lengths are 2.35 Å. All Ir(1)-S(2) bond lengths are 2.68 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a tetrahedral geometry to four equivalent S(2) atoms. All Cu(1)-S(2) bond lengths are 2.27 Å. In the second Cu site, Cu(2) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. All Cu(2)-S(1) bond lengths are 2.53 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ir(1) and one Cu(2) atom. In the second S site, S(2) is bonded in a distorted linear geometry to one Mg(1), three equivalent Ir(1), and one Cu(1) atom.