MgV2Mn2O8 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Mn(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom.
MgV2Mn2O8 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Mg(1)-O(3) bond lengths are 1.95 Å. Both Mg(1)-O(4) bond lengths are 1.99 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Both V(1)-O(3) bond lengths are 1.79 Å. Both V(1)-O(4) bond lengths are 1.70 Å. In the second V site, V(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Both V(2)-O(1) bond lengths are 1.73 Å. Both V(2)-O(2) bond lengths are 1.79 Å. Mn(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. The Mn(1)-O(1) bond length is 2.07 Å. Both Mn(1)-O(2) bond lengths are 2.16 Å. Both Mn(1)-O(3) bond lengths are 2.37 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom.