MgV4MnNiO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(7) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), one O(4), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. 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 Mn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one V(3)O5 trigonal bipyramid, and corners with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-65°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), one O(8), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. 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 Mn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and corners with two equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-65°. Mn(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 MnO6 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)O5 trigonal bipyramids, corners with two equivalent V(3)O5 trigonal bipyramids, and edges with two equivalent Ni(1)O6 octahedra. Ni(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 distorted NiO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(3)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2), one Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one Ni(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one V(3), one Mn(1), and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(4), one Mn(1), and one Ni(1) atom.
MgV4MnNiO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(7) atom. The Mg(1)-O(2) bond length is 2.05 Å. The Mg(1)-O(4) bond length is 2.00 Å. The Mg(1)-O(5) bond length is 2.06 Å. The Mg(1)-O(7) bond length is 1.99 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), one O(4), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. The V(1)-O(1) bond length is 1.77 Å. The V(1)-O(11) bond length is 2.08 Å. The V(1)-O(2) bond length is 1.78 Å. The V(1)-O(4) bond length is 1.99 Å. The V(1)-O(6) bond length is 2.05 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 Mn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one V(3)O5 trigonal bipyramid, and corners with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-65°. The V(2)-O(3) bond length is 1.72 Å. The V(2)-O(4) bond length is 1.81 Å. The V(2)-O(6) bond length is 1.72 Å. The V(2)-O(8) bond length is 1.76 Å. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), one O(8), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. The V(3)-O(10) bond length is 1.77 Å. The V(3)-O(5) bond length is 1.78 Å. The V(3)-O(7) bond length is 1.99 Å. The V(3)-O(8) bond length is 2.08 Å. The V(3)-O(9) bond length is 2.04 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 Mn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and corners with two equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-65°. The V(4)-O(11) bond length is 1.76 Å. The V(4)-O(12) bond length is 1.72 Å. The V(4)-O(7) bond length is 1.81 Å. The V(4)-O(9) bond length is 1.72 Å. Mn(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 MnO6 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)O5 trigonal bipyramids, corners with two equivalent V(3)O5 trigonal bipyramids, and edges with two equivalent Ni(1)O6 octahedra. The Mn(1)-O(1) bond length is 2.09 Å. The Mn(1)-O(10) bond length is 2.09 Å. The Mn(1)-O(12) bond length is 2.23 Å. The Mn(1)-O(2) bond length is 2.15 Å. The Mn(1)-O(3) bond length is 2.23 Å. The Mn(1)-O(5) bond length is 2.15 Å. Ni(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 distorted NiO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(3)O5 trigonal bipyramid. The Ni(1)-O(1) bond length is 2.00 Å. The Ni(1)-O(10) bond length is 2.00 Å. The Ni(1)-O(11) bond length is 2.31 Å. The Ni(1)-O(12) bond length is 2.14 Å. The Ni(1)-O(3) bond length is 2.15 Å. The Ni(1)-O(8) bond length is 2.32 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one V(1), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2), one Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one Ni(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one V(3), one Mn(1), and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(4), one Mn(1), and one Ni(1) atom.