MgFe4(CuO4)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), one Fe(3), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms to form a mixture of distorted face and corner-sharing OMgFe3 tetrahedra.
MgFe4(CuO4)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Mg(1)-O(3) bond lengths are 2.11 Å. Both Mg(1)-O(4) bond lengths are 2.04 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Fe(1)-O(3) bond lengths are 1.97 Å. Both Fe(1)-O(4) bond lengths are 1.91 Å. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Fe(2)-O(1) bond lengths are 1.91 Å. Both Fe(2)-O(2) bond lengths are 2.01 Å. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. The Fe(3)-O(2) bond length is 2.19 Å. Both Fe(3)-O(1) bond lengths are 2.06 Å. Both Fe(3)-O(4) bond lengths are 2.10 Å. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Cu(1)-O(2) bond lengths are 2.00 Å. Both Cu(1)-O(3) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(2) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), one Fe(3), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Fe(1), and two equivalent Fe(3) atoms to form a mixture of distorted face and corner-sharing OMgFe3 tetrahedra.