MgV4MnCuO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 70°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-60°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-70°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent V(4)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-60°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-65°. Mn(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. Cu(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted CuO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Mg(1), one V(2), one Mn(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Mn(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(3), one Mn(1), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(1), one V(4), one Mn(1), and one Cu(1) atom.
MgV4MnCuO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 70°. The Mg(1)-O(12) bond length is 2.07 Å. The Mg(1)-O(3) bond length is 2.06 Å. The Mg(1)-O(5) bond length is 2.13 Å. The Mg(1)-O(6) bond length is 2.07 Å. The Mg(1)-O(9) bond length is 2.27 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra, and  a cornercorner with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-60°. The V(1)-O(1) bond length is 1.73 Å. The V(1)-O(2) bond length is 1.71 Å. The V(1)-O(4) bond length is 1.77 Å. The V(1)-O(6) bond length is 1.85 Å. In the second V site, V(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-70°. The V(2)-O(3) bond length is 1.83 Å. The V(2)-O(4) bond length is 1.89 Å. The V(2)-O(6) bond length is 1.97 Å. The V(2)-O(8) bond length is 1.70 Å. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent V(4)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-60°. The V(3)-O(10) bond length is 1.68 Å. The V(3)-O(5) bond length is 1.72 Å. The V(3)-O(7) bond length is 1.81 Å. The V(3)-O(9) bond length is 1.84 Å. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-65°. The V(4)-O(11) bond length is 1.66 Å. The V(4)-O(12) bond length is 1.74 Å. The V(4)-O(7) bond length is 1.78 Å. The V(4)-O(9) bond length is 1.83 Å. Mn(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The Mn(1)-O(1) bond length is 2.23 Å. The Mn(1)-O(10) bond length is 2.28 Å. The Mn(1)-O(11) bond length is 2.05 Å. The Mn(1)-O(12) bond length is 2.15 Å. The Mn(1)-O(3) bond length is 2.25 Å. The Mn(1)-O(8) bond length is 2.06 Å. Cu(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted CuO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The Cu(1)-O(1) bond length is 2.05 Å. The Cu(1)-O(10) bond length is 2.34 Å. The Cu(1)-O(12) bond length is 2.57 Å. The Cu(1)-O(2) bond length is 2.04 Å. The Cu(1)-O(3) bond length is 2.18 Å. The Cu(1)-O(5) bond length is 2.17 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Mn(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Mg(1), one V(2), one Mn(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one Mn(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(3), one Mn(1), and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(1), one V(4), one Mn(1), and one Cu(1) atom.