V4FeCoO12 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-58°. In the second V site, V(2) is bonded to one O(10), one O(12), 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, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-57°. In the third V site, V(3) is bonded to one O(1), one O(3), 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, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-59°. In the fourth V site, V(4) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-60°. Fe(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(3), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(4), one Fe(1), and one Co(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one Co(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one Fe(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom.
V4FeCoO12 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-58°. The V(1)-O(11) bond length is 1.68 Å. The V(1)-O(5) bond length is 1.72 Å. The V(1)-O(7) bond length is 1.80 Å. The V(1)-O(9) bond length is 1.79 Å. In the second V site, V(2) is bonded to one O(10), one O(12), 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, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-57°. The V(2)-O(10) bond length is 1.79 Å. The V(2)-O(12) bond length is 1.68 Å. The V(2)-O(6) bond length is 1.73 Å. The V(2)-O(8) bond length is 1.79 Å. In the third V site, V(3) is bonded to one O(1), one O(3), 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, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-59°. The V(3)-O(1) bond length is 1.72 Å. The V(3)-O(3) bond length is 1.68 Å. The V(3)-O(7) bond length is 1.80 Å. The V(3)-O(9) bond length is 1.80 Å. In the fourth V site, V(4) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-60°. The V(4)-O(10) bond length is 1.80 Å. The V(4)-O(2) bond length is 1.72 Å. The V(4)-O(4) bond length is 1.68 Å. The V(4)-O(8) bond length is 1.80 Å. Fe(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. The Fe(1)-O(1) bond length is 2.24 Å. The Fe(1)-O(11) bond length is 2.10 Å. The Fe(1)-O(12) bond length is 2.08 Å. The Fe(1)-O(2) bond length is 2.22 Å. The Fe(1)-O(5) bond length is 2.18 Å. The Fe(1)-O(6) bond length is 2.15 Å. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. The Co(1)-O(1) bond length is 2.14 Å. The Co(1)-O(2) bond length is 2.16 Å. The Co(1)-O(3) bond length is 2.06 Å. The Co(1)-O(4) bond length is 2.07 Å. The Co(1)-O(5) bond length is 2.14 Å. The Co(1)-O(6) bond length is 2.16 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(3), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(4), one Fe(1), and one Co(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one Co(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one Co(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one Fe(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom.