MgV2Cr4O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, corners with four equivalent Cr(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second V site, V(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with four equivalent Cr(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the third Cr site, Cr(3) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the fourth Cr site, Cr(4) is bonded to one O(12), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Cr(1), and one Cr(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one Cr(2), and one Cr(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one Cr(3), and one Cr(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one V(2), one Cr(1), and one Cr(3) atom to form a mixture of edge and corner-sharing OMgVCr2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(2), and one Cr(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one Cr(3), and one Cr(4) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(2), one Cr(1), and one Cr(3) atom to form a mixture of edge and corner-sharing OMgVCr2 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(2), and one Cr(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Cr(1), and one Cr(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one Cr(1), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(1), one Cr(2), and one Cr(4) atom.
MgV2Cr4O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. The Mg(1)-O(1) bond length is 2.06 Å. The Mg(1)-O(10) bond length is 2.07 Å. The Mg(1)-O(11) bond length is 2.11 Å. The Mg(1)-O(2) bond length is 2.11 Å. The Mg(1)-O(5) bond length is 1.91 Å. The Mg(1)-O(8) bond length is 1.90 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(7) atom to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, corners with four equivalent Cr(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. The V(1)-O(1) bond length is 2.02 Å. The V(1)-O(10) bond length is 2.03 Å. The V(1)-O(12) bond length is 1.84 Å. The V(1)-O(3) bond length is 1.84 Å. The V(1)-O(4) bond length is 1.95 Å. The V(1)-O(7) bond length is 1.96 Å. In the second V site, V(2) is bonded to one O(11), one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. The V(2)-O(11) bond length is 2.00 Å. The V(2)-O(2) bond length is 1.99 Å. The V(2)-O(5) bond length is 1.99 Å. The V(2)-O(6) bond length is 1.80 Å. The V(2)-O(8) bond length is 2.00 Å. The V(2)-O(9) bond length is 1.80 Å. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. The Cr(1)-O(1) bond length is 1.98 Å. The Cr(1)-O(10) bond length is 1.98 Å. The Cr(1)-O(11) bond length is 2.01 Å. The Cr(1)-O(2) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 2.06 Å. The Cr(1)-O(8) bond length is 2.06 Å. In the second Cr site, Cr(2) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with four equivalent Cr(4)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. The Cr(2)-O(11) bond length is 2.05 Å. The Cr(2)-O(12) bond length is 2.02 Å. The Cr(2)-O(2) bond length is 2.05 Å. The Cr(2)-O(3) bond length is 2.03 Å. The Cr(2)-O(6) bond length is 2.04 Å. The Cr(2)-O(9) bond length is 2.03 Å. In the third Cr site, Cr(3) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one Cr(4)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The Cr(3)-O(1) bond length is 2.08 Å. The Cr(3)-O(10) bond length is 2.07 Å. The Cr(3)-O(4) bond length is 1.98 Å. The Cr(3)-O(5) bond length is 2.04 Å. The Cr(3)-O(7) bond length is 1.97 Å. The Cr(3)-O(8) bond length is 2.04 Å. In the fourth Cr site, Cr(4) is bonded to one O(12), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with four equivalent V(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Cr(4)-O(12) bond length is 2.08 Å. The Cr(4)-O(3) bond length is 2.09 Å. The Cr(4)-O(4) bond length is 1.98 Å. The Cr(4)-O(6) bond length is 2.05 Å. The Cr(4)-O(7) bond length is 1.98 Å. The Cr(4)-O(9) bond length is 2.05 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Cr(1), and one Cr(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1), one Cr(2), and one Cr(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one Cr(3), and one Cr(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one V(2), one Cr(1), and one Cr(3) atom to form a mixture of edge and corner-sharing OMgVCr2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(2), and one Cr(4) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one Cr(3), and one Cr(4) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(2), one Cr(1), and one Cr(3) atom to form a mixture of edge and corner-sharing OMgVCr2 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(2), and one Cr(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Cr(1), and one Cr(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one Cr(1), and one Cr(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(1), one Cr(2), and one Cr(4) atom.