Mg(MoO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(4), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  a faceface with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(6) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-45°. In the second Mo site, Mo(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(3)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 23-45°. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(5), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(4)O6 octahedra, and corners with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 20-43°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 20-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(3), and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), 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 Mg(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one Mo(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom.
Mg(MoO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(4), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  a faceface with one Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. The Mg(1)-O(1) bond length is 2.10 Å. The Mg(1)-O(10) bond length is 2.13 Å. The Mg(1)-O(11) bond length is 2.13 Å. The Mg(1)-O(3) bond length is 2.15 Å. The Mg(1)-O(4) bond length is 2.05 Å. The Mg(1)-O(9) bond length is 2.12 Å. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(6) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra,  a cornercorner with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 23-45°. The Mo(1)-O(10) bond length is 2.17 Å. The Mo(1)-O(11) bond length is 1.99 Å. The Mo(1)-O(12) bond length is 1.82 Å. The Mo(1)-O(3) bond length is 2.03 Å. The Mo(1)-O(4) bond length is 1.97 Å. The Mo(1)-O(6) bond length is 1.79 Å. In the second Mo site, Mo(2) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(3)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 23-45°. The Mo(2)-O(11) bond length is 1.99 Å. The Mo(2)-O(12) bond length is 2.05 Å. The Mo(2)-O(3) bond length is 1.95 Å. The Mo(2)-O(4) bond length is 2.08 Å. The Mo(2)-O(5) bond length is 1.76 Å. The Mo(2)-O(9) bond length is 2.32 Å. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(5), one O(7), one O(8), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(4)O6 octahedra, and corners with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 20-43°. The Mo(3)-O(1) bond length is 1.97 Å. The Mo(3)-O(2) bond length is 2.15 Å. The Mo(3)-O(5) bond length is 2.20 Å. The Mo(3)-O(7) bond length is 1.86 Å. The Mo(3)-O(8) bond length is 1.79 Å. The Mo(3)-O(9) bond length is 1.83 Å. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 20-43°. The Mo(4)-O(1) bond length is 2.09 Å. The Mo(4)-O(10) bond length is 1.91 Å. The Mo(4)-O(2) bond length is 1.77 Å. The Mo(4)-O(6) bond length is 2.13 Å. The Mo(4)-O(7) bond length is 2.01 Å. The Mo(4)-O(8) bond length is 2.15 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(3), and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), 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 Mg(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(3) and one Mo(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one Mo(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom.