MgV2Fe2(H2O5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), 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 three equivalent Fe(2)O6 octahedra,  an edgeedge with one V(1)O4 tetrahedra, and  an edgeedge with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-63°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(5), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with three equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(2), one Fe(2), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(1), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Mg(1), one Fe(2), one H(2), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one V(2), one Fe(1), and one Fe(2) atom.
MgV2Fe2(H2O5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), 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 three equivalent Fe(2)O6 octahedra,  an edgeedge with one V(1)O4 tetrahedra, and  an edgeedge with one V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. The Mg(1)-O(10) bond length is 2.21 Å. The Mg(1)-O(4) bond length is 2.08 Å. The Mg(1)-O(6) bond length is 2.08 Å. The Mg(1)-O(7) bond length is 2.09 Å. The Mg(1)-O(8) bond length is 2.20 Å. The Mg(1)-O(9) bond length is 2.09 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-63°. The V(1)-O(3) bond length is 1.68 Å. The V(1)-O(4) bond length is 1.76 Å. The V(1)-O(5) bond length is 1.80 Å. The V(1)-O(8) bond length is 1.75 Å. In the second V site, V(2) is bonded to one O(1), one O(10), one O(2), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. The V(2)-O(1) bond length is 1.76 Å. The V(2)-O(10) bond length is 1.80 Å. The V(2)-O(2) bond length is 1.68 Å. The V(2)-O(7) bond length is 1.77 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(5), and one O(8) atom. The Fe(1)-O(10) bond length is 2.33 Å. The Fe(1)-O(2) bond length is 2.05 Å. The Fe(1)-O(4) bond length is 2.07 Å. The Fe(1)-O(5) bond length is 2.05 Å. The Fe(1)-O(8) bond length is 2.03 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with three equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-59°. The Fe(2)-O(1) bond length is 2.17 Å. The Fe(2)-O(10) bond length is 2.13 Å. The Fe(2)-O(3) bond length is 2.08 Å. The Fe(2)-O(5) bond length is 2.30 Å. The Fe(2)-O(7) bond length is 2.09 Å. The Fe(2)-O(9) bond length is 2.40 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(6) atom. The H(1)-O(6) bond length is 1.00 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(9) atom. The H(2)-O(1) bond length is 1.62 Å. The H(2)-O(9) bond length is 1.03 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one O(6) atom. The H(3)-O(1) bond length is 1.75 Å. The H(3)-O(6) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(9) atom. The H(4)-O(9) bond length is 0.98 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(2), one Fe(2), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Fe(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one H(1), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Mg(1), one Fe(2), one H(2), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one V(2), one Fe(1), and one Fe(2) atom.