Mg(MoO2)2 is Spinel structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, and corners with six equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(3)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. In the third Mo site, Mo(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Mo(1), and two equivalent Mo(2) atoms to form distorted corner-sharing OMgMo3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(3), and two equivalent Mo(2) atoms.
Mg(MoO2)2 is Spinel structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MgO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, and corners with six equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. The Mg(1)-O(2) bond length is 2.01 Å. The Mg(1)-O(3) bond length is 2.03 Å. Both Mg(1)-O(1) bond lengths are 2.03 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(3)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. Both Mo(1)-O(2) bond lengths are 2.18 Å. All Mo(1)-O(1) bond lengths are 2.19 Å. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. Both Mo(2)-O(1) bond lengths are 2.19 Å. Both Mo(2)-O(2) bond lengths are 2.18 Å. Both Mo(2)-O(3) bond lengths are 2.19 Å. In the third Mo site, Mo(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with four equivalent Mo(2)O6 octahedra. Both Mo(3)-O(3) bond lengths are 2.20 Å. All Mo(3)-O(1) bond lengths are 2.19 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded to one Mg(1), one Mo(1), and two equivalent Mo(2) atoms to form distorted corner-sharing OMgMo3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(3), and two equivalent Mo(2) atoms.