Mg(MoO3)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-21°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mo(2), and two equivalent Mo(1) atoms to form distorted corner-sharing OMg2Mo3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mo(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mg(1) and one Mo(2) atom.
Mg(MoO3)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Mg(1)-O(2) bond length is 2.05 Å. The Mg(1)-O(6) bond length is 2.16 Å. Both Mg(1)-O(1) bond lengths are 2.06 Å. There is one shorter (2.06 Å) and one longer (2.08 Å) Mg(1)-O(3) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form distorted MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-21°. The Mo(1)-O(4) bond length is 2.18 Å. The Mo(1)-O(5) bond length is 1.71 Å. There is one shorter (2.05 Å) and one longer (2.09 Å) Mo(1)-O(1) bond length. Both Mo(1)-O(3) bond lengths are 2.09 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms. The Mo(2)-O(3) bond length is 2.38 Å. The Mo(2)-O(6) bond length is 1.74 Å. There is one shorter (1.95 Å) and one longer (2.28 Å) Mo(2)-O(2) bond length. Both Mo(2)-O(4) bond lengths are 2.14 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mo(2), and two equivalent Mo(1) atoms to form distorted corner-sharing OMg2Mo3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mo(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mg(1) and one Mo(2) atom.