NaMgFe(SO4)3 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(4), one O(5), one O(6), and one O(7) atom. Mg(1) is bonded to one O(12), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. In the second S site, S(2) is bonded to one O(12), one O(3), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. In the third S site, S(3) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(3) atom. In the second O site, O(9) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(3) atom. In the fourth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(3) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the sixth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(1) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(2) atom. In the ninth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. In the tenth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(2) atom. In the eleventh O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(2) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(3) atom.
NaMgFe(SO4)3 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(4), one O(5), one O(6), and one O(7) atom. The Na(1)-O(1) bond length is 2.52 Å. The Na(1)-O(11) bond length is 2.49 Å. The Na(1)-O(4) bond length is 2.50 Å. The Na(1)-O(5) bond length is 2.46 Å. The Na(1)-O(6) bond length is 2.46 Å. The Na(1)-O(7) bond length is 2.53 Å. Mg(1) is bonded to one O(12), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. The Mg(1)-O(12) bond length is 2.02 Å. The Mg(1)-O(4) bond length is 2.10 Å. The Mg(1)-O(6) bond length is 2.07 Å. The Mg(1)-O(7) bond length is 2.07 Å. The Mg(1)-O(8) bond length is 2.02 Å. The Mg(1)-O(9) bond length is 2.01 Å. Fe(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(5) atom to form FeO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, and corners with two equivalent S(3)O4 tetrahedra. The Fe(1)-O(1) bond length is 2.07 Å. The Fe(1)-O(10) bond length is 1.98 Å. The Fe(1)-O(11) bond length is 2.11 Å. The Fe(1)-O(2) bond length is 2.00 Å. The Fe(1)-O(3) bond length is 2.00 Å. The Fe(1)-O(5) bond length is 2.08 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(4), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. The S(1)-O(1) bond length is 1.50 Å. The S(1)-O(2) bond length is 1.50 Å. The S(1)-O(4) bond length is 1.47 Å. The S(1)-O(9) bond length is 1.46 Å. In the second S site, S(2) is bonded to one O(12), one O(3), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. The S(2)-O(12) bond length is 1.46 Å. The S(2)-O(3) bond length is 1.50 Å. The S(2)-O(5) bond length is 1.50 Å. The S(2)-O(6) bond length is 1.47 Å. In the third S site, S(3) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. The S(3)-O(10) bond length is 1.50 Å. The S(3)-O(11) bond length is 1.50 Å. The S(3)-O(7) bond length is 1.47 Å. The S(3)-O(8) bond length is 1.46 Å. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(3) atom. In the second O site, O(9) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(3) atom. In the fourth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(3) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(2) atom. In the sixth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(1) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(2) atom. In the ninth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(1) atom. In the tenth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one S(2) atom. In the eleventh O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(2) atom. In the twelfth O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one S(3) atom.