MgMo2Fe2(O4Cl)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Fe(1)ClO4 trigonal bipyramids and corners with two equivalent Fe(2)ClO4 trigonal bipyramids. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted MoO4 tetrahedra that share corners with two equivalent Fe(1)ClO4 trigonal bipyramids and corners with two equivalent Fe(2)ClO4 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), one O(7), and one Cl(2) atom to form distorted FeClO4 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra and corners with two equivalent Mo(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(6), one O(8), and one Cl(1) atom to form FeClO4 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra and corners with two equivalent Mo(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(2), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(1) and one Fe(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one Fe(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mo(1) and one Fe(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Fe(1) atom.
MgMo2Fe2(O4Cl)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Mg(1)-O(1) bond length is 2.05 Å. The Mg(1)-O(2) bond length is 2.04 Å. The Mg(1)-O(3) bond length is 2.04 Å. The Mg(1)-O(4) bond length is 2.06 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Fe(1)ClO4 trigonal bipyramids and corners with two equivalent Fe(2)ClO4 trigonal bipyramids. The Mo(1)-O(5) bond length is 1.76 Å. The Mo(1)-O(6) bond length is 1.83 Å. The Mo(1)-O(7) bond length is 1.76 Å. The Mo(1)-O(8) bond length is 1.83 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted MoO4 tetrahedra that share corners with two equivalent Fe(1)ClO4 trigonal bipyramids and corners with two equivalent Fe(2)ClO4 trigonal bipyramids. The Mo(2)-O(1) bond length is 1.89 Å. The Mo(2)-O(2) bond length is 1.86 Å. The Mo(2)-O(3) bond length is 1.86 Å. The Mo(2)-O(4) bond length is 1.89 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), one O(7), and one Cl(2) atom to form distorted FeClO4 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra and corners with two equivalent Mo(2)O4 tetrahedra. The Fe(1)-O(2) bond length is 2.08 Å. The Fe(1)-O(3) bond length is 2.08 Å. The Fe(1)-O(5) bond length is 2.06 Å. The Fe(1)-O(7) bond length is 2.06 Å. The Fe(1)-Cl(2) bond length is 2.43 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), one O(6), one O(8), and one Cl(1) atom to form FeClO4 trigonal bipyramids that share corners with two equivalent Mo(1)O4 tetrahedra and corners with two equivalent Mo(2)O4 tetrahedra. The Fe(2)-O(1) bond length is 2.09 Å. The Fe(2)-O(4) bond length is 2.08 Å. The Fe(2)-O(6) bond length is 1.92 Å. The Fe(2)-O(8) bond length is 1.92 Å. The Fe(2)-Cl(1) bond length is 2.27 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(2), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(1) and one Fe(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one Fe(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mo(1) and one Fe(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Fe(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Fe(1) atom.