MgCu2(SO4)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. S(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one S(1) atom.
MgCu2(SO4)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Both Mg(1)-O(1) bond lengths are 2.07 Å. Both Mg(1)-O(3) bond lengths are 2.08 Å. Both Mg(1)-O(4) bond lengths are 2.11 Å. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(1)-O(1) bond length is 1.81 Å. The Cu(1)-O(2) bond length is 1.96 Å. The Cu(1)-O(3) bond length is 2.04 Å. The Cu(1)-O(4) bond length is 2.07 Å. S(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. The S(1)-O(2) bond length is 1.53 Å. The S(1)-O(3) bond length is 1.55 Å. The S(1)-O(4) bond length is 1.54 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cu(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Cu(1), and one S(1) atom.