Mg2V2O5 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MgO4 trigonal pyramids. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MgO4 trigonal pyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(2), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2V2 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OMg2V2 tetrahedra.
Mg2V2O5 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MgO4 trigonal pyramids. The Mg(1)-O(4) bond length is 2.02 Å. The Mg(1)-O(5) bond length is 2.07 Å. Both Mg(1)-O(2) bond lengths are 2.05 Å. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MgO4 trigonal pyramids. The Mg(2)-O(4) bond length is 2.07 Å. The Mg(2)-O(5) bond length is 2.02 Å. Both Mg(2)-O(3) bond lengths are 2.06 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. The V(1)-O(1) bond length is 1.99 Å. The V(1)-O(2) bond length is 1.92 Å. The V(1)-O(3) bond length is 2.40 Å. Both V(1)-O(4) bond lengths are 1.95 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(5) atoms. The V(2)-O(1) bond length is 1.99 Å. The V(2)-O(2) bond length is 2.41 Å. The V(2)-O(3) bond length is 1.92 Å. Both V(2)-O(5) bond lengths are 1.94 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(2), one V(1), and one V(2) atom to form a mixture of distorted corner and edge-sharing OMg2V2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mg(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OMg2V2 tetrahedra. In the fifth O site, O(5) is bonded to one Mg(1), one Mg(2), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OMg2V2 tetrahedra.