Na(MoO3)4O2 crystallizes in the monoclinic C2 space group. The structure consists of two hydrogen peroxide molecules inside a Na(MoO3)4 framework. In the Na(MoO3)4 framework, Na(1) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with five equivalent Mo(2)O5 trigonal bipyramids and  an edgeedge with one Mo(1)O6 octahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing MoO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 13-69°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(1) atom.
Na(MoO3)4O2 crystallizes in the monoclinic C2 space group. The structure consists of two hydrogen peroxide molecules inside a Na(MoO3)4 framework. In the Na(MoO3)4 framework, Na(1) is bonded in a distorted square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. Both Na(1)-O(5) bond lengths are 2.42 Å. Both Na(1)-O(6) bond lengths are 2.42 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with five equivalent Mo(2)O5 trigonal bipyramids and  an edgeedge with one Mo(1)O6 octahedra. The Mo(1)-O(1) bond length is 1.94 Å. The Mo(1)-O(2) bond length is 1.93 Å. The Mo(1)-O(3) bond length is 1.96 Å. The Mo(1)-O(6) bond length is 1.73 Å. There is one shorter (2.01 Å) and one longer (2.30 Å) Mo(1)-O(4) bond length. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing MoO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 13-69°. The Mo(2)-O(1) bond length is 1.91 Å. The Mo(2)-O(2) bond length is 1.92 Å. The Mo(2)-O(3) bond length is 1.96 Å. The Mo(2)-O(4) bond length is 1.97 Å. The Mo(2)-O(5) bond length is 1.72 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(1) atom.