Mg(MoO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and edges with six equivalent Mo(2)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted MoO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mo(1), and two equivalent Mo(2) atoms. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Mo(1) and three equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Mo(2) atoms.
Mg(MoO2)2 is Spinel-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and three equivalent O(4) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. The Mg(1)-O(3) bond length is 2.07 Å. All Mg(1)-O(4) bond lengths are 2.06 Å. In the second Mg site, Mg(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and edges with six equivalent Mo(2)O6 octahedra. All Mg(2)-O(1) bond lengths are 2.16 Å. All Mg(2)-O(4) bond lengths are 2.14 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted MoO4 tetrahedra that share corners with three equivalent Mg(2)O6 octahedra and corners with nine equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. The Mo(1)-O(2) bond length is 2.35 Å. All Mo(1)-O(1) bond lengths are 2.04 Å. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. The Mo(2)-O(2) bond length is 2.15 Å. The Mo(2)-O(3) bond length is 2.20 Å. Both Mo(2)-O(1) bond lengths are 2.20 Å. Both Mo(2)-O(4) bond lengths are 2.16 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(2), one Mo(1), and two equivalent Mo(2) atoms. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Mo(1) and three equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1) and three equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mg(2), and two equivalent Mo(2) atoms.