MgVMoO5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form MgO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one Mo(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-73°. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with three equivalent Mo(1)O6 octahedra, and edges with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-29°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O5 trigonal bipyramids, edges with three equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-30°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Mo(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent V(1), and one Mo(1) atom to form OMgV2Mo trigonal pyramids that share  a cornercorner with one O(4)Mg2VMo trigonal pyramid, corners with two equivalent O(2)MgV2Mo trigonal pyramids, and edges with two equivalent O(4)Mg2VMo trigonal pyramids. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one V(1), and one Mo(1) atom to form OMg2VMo trigonal pyramids that share  a cornercorner with one O(2)MgV2Mo trigonal pyramid, corners with two equivalent O(4)Mg2VMo trigonal pyramids, and edges with two equivalent O(2)MgV2Mo trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent Mo(1) atoms.
MgVMoO5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form MgO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one Mo(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-73°. The Mg(1)-O(1) bond length is 1.98 Å. The Mg(1)-O(2) bond length is 2.12 Å. The Mg(1)-O(3) bond length is 2.08 Å. Both Mg(1)-O(4) bond lengths are 2.06 Å. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with three equivalent Mo(1)O6 octahedra, and edges with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-29°. The V(1)-O(1) bond length is 1.81 Å. The V(1)-O(3) bond length is 1.95 Å. The V(1)-O(4) bond length is 2.06 Å. The V(1)-O(5) bond length is 2.14 Å. Both V(1)-O(2) bond lengths are 2.00 Å. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O5 trigonal bipyramids, edges with three equivalent V(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-30°. The Mo(1)-O(1) bond length is 2.12 Å. The Mo(1)-O(2) bond length is 2.17 Å. The Mo(1)-O(3) bond length is 1.97 Å. The Mo(1)-O(4) bond length is 2.12 Å. Both Mo(1)-O(5) bond lengths are 2.01 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Mo(1) atom. In the second O site, O(2) is bonded to one Mg(1), two equivalent V(1), and one Mo(1) atom to form OMgV2Mo trigonal pyramids that share  a cornercorner with one O(4)Mg2VMo trigonal pyramid, corners with two equivalent O(2)MgV2Mo trigonal pyramids, and edges with two equivalent O(4)Mg2VMo trigonal pyramids. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one V(1), and one Mo(1) atom to form OMg2VMo trigonal pyramids that share  a cornercorner with one O(2)MgV2Mo trigonal pyramid, corners with two equivalent O(4)Mg2VMo trigonal pyramids, and edges with two equivalent O(2)MgV2Mo trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent Mo(1) atoms.