MgV4FeCoO12 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 Co(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)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. 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 Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one V(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-63°. 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 Co(1)O6 octahedra, corners with two equivalent Fe(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 10-68°. 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 Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent V(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-65°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. Fe(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 FeO6 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)O5 trigonal bipyramids, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. Co(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 CoO6 octahedra that share  a cornercorner with one V(2)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 Fe(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(4)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Co(1) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgVFeCo tetrahedra. 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 T-shaped geometry to one Mg(1), one V(3), and one Co(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 linear geometry to one V(2) and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one Fe(1), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Mg(1), one V(4), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgVFeCo trigonal pyramids.
MgV4FeCoO12 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 Co(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)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. The Mg(1)-O(12) bond length is 2.04 Å. The Mg(1)-O(3) bond length is 2.09 Å. The Mg(1)-O(5) bond length is 2.16 Å. The Mg(1)-O(6) bond length is 2.15 Å. The Mg(1)-O(9) bond length is 2.09 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 Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  a cornercorner with one V(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-63°. The V(1)-O(1) bond length is 1.71 Å. The V(1)-O(2) bond length is 1.76 Å. The V(1)-O(4) bond length is 1.75 Å. The V(1)-O(6) bond length is 1.80 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 Co(1)O6 octahedra, corners with two equivalent Fe(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 10-68°. The V(2)-O(3) bond length is 1.85 Å. The V(2)-O(4) bond length is 1.91 Å. The V(2)-O(6) bond length is 2.01 Å. The V(2)-O(8) bond length is 1.67 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 Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent V(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 29-65°. The V(3)-O(10) bond length is 1.74 Å. The V(3)-O(5) bond length is 1.75 Å. The V(3)-O(7) bond length is 1.72 Å. The V(3)-O(9) bond length is 1.82 Å. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-54°. The V(4)-O(11) bond length is 1.68 Å. The V(4)-O(12) bond length is 1.87 Å. The V(4)-O(2) bond length is 2.16 Å. The V(4)-O(7) bond length is 1.96 Å. The V(4)-O(9) bond length is 1.94 Å. Fe(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 FeO6 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)O5 trigonal bipyramids, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The Fe(1)-O(1) bond length is 2.23 Å. The Fe(1)-O(10) bond length is 2.10 Å. The Fe(1)-O(11) bond length is 2.05 Å. The Fe(1)-O(12) bond length is 2.10 Å. The Fe(1)-O(3) bond length is 2.28 Å. The Fe(1)-O(8) bond length is 2.09 Å. Co(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 CoO6 octahedra that share  a cornercorner with one V(2)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 Fe(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(4)O5 trigonal bipyramid. The Co(1)-O(1) bond length is 2.08 Å. The Co(1)-O(10) bond length is 2.18 Å. The Co(1)-O(12) bond length is 2.14 Å. The Co(1)-O(2) bond length is 2.13 Å. The Co(1)-O(3) bond length is 2.11 Å. The Co(1)-O(5) bond length is 2.08 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one Co(1) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgVFeCo tetrahedra. 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 T-shaped geometry to one Mg(1), one V(3), and one Co(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 linear geometry to one V(2) and one Fe(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one Fe(1), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Mg(1), one V(4), one Fe(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OMgVFeCo trigonal pyramids.