MoV2O8 crystallizes in the monoclinic C2/m space group. V(1) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(3), and three equivalent O(5) atoms. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms.
MoV2O8 crystallizes in the monoclinic C2/m space group. V(1) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(3), and three equivalent O(5) atoms. The V(1)-O(4) bond length is 1.81 Å. There is one shorter (1.63 Å) and one longer (2.28 Å) V(1)-O(3) bond length. There are two shorter (1.95 Å) and one longer (2.01 Å) V(1)-O(5) bond length. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedra are not tilted. Both Mo(1)-O(1) bond lengths are 1.89 Å. Both Mo(1)-O(2) bond lengths are 1.95 Å. Both Mo(1)-O(4) bond lengths are 1.93 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms.