MgV4O8 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(5) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third V site, V(3) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the fourth V site, V(4) is bonded in a tetrahedral geometry to one O(4), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mg(1) and one V(3) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mg(1) and one V(3) atom. In the third O site, O(3) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form a mixture of distorted corner and face-sharing OMgV3 tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form a mixture of distorted corner and face-sharing OMgV3 tetrahedra. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom.
MgV4O8 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(5) atom. The Mg(1)-O(1) bond length is 1.97 Å. The Mg(1)-O(2) bond length is 1.97 Å. The Mg(1)-O(3) bond length is 1.95 Å. The Mg(1)-O(5) bond length is 1.95 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The V(1)-O(3) bond length is 2.35 Å. The V(1)-O(4) bond length is 2.11 Å. The V(1)-O(5) bond length is 2.38 Å. The V(1)-O(6) bond length is 2.11 Å. The V(1)-O(7) bond length is 2.08 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The V(2)-O(3) bond length is 2.33 Å. The V(2)-O(4) bond length is 2.12 Å. The V(2)-O(5) bond length is 2.31 Å. The V(2)-O(6) bond length is 2.11 Å. The V(2)-O(8) bond length is 2.08 Å. In the third V site, V(3) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(5) atom. The V(3)-O(1) bond length is 1.71 Å. The V(3)-O(2) bond length is 1.70 Å. The V(3)-O(3) bond length is 1.79 Å. The V(3)-O(5) bond length is 1.79 Å. In the fourth V site, V(4) is bonded in a tetrahedral geometry to one O(4), one O(6), one O(7), and one O(8) atom. The V(4)-O(4) bond length is 1.82 Å. The V(4)-O(6) bond length is 1.82 Å. The V(4)-O(7) bond length is 1.73 Å. The V(4)-O(8) bond length is 1.73 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mg(1) and one V(3) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mg(1) and one V(3) atom. In the third O site, O(3) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form a mixture of distorted corner and face-sharing OMgV3 tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form a mixture of distorted corner and face-sharing OMgV3 tetrahedra. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom.