V4CrFeO12 crystallizes in the monoclinic C2 space group. There are two 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(5) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-63°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one Cr(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(1), and one Fe(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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom.
V4CrFeO12 crystallizes in the monoclinic C2 space group. There are two 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(5) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-63°. The V(1)-O(1) bond length is 1.83 Å. The V(1)-O(2) bond length is 1.72 Å. The V(1)-O(4) bond length is 1.87 Å. The V(1)-O(5) bond length is 1.89 Å. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. The V(2)-O(3) bond length is 1.78 Å. The V(2)-O(4) bond length is 1.74 Å. The V(2)-O(5) bond length is 1.73 Å. The V(2)-O(6) bond length is 1.74 Å. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Both Cr(1)-O(1) bond lengths are 2.03 Å. Both Cr(1)-O(2) bond lengths are 1.99 Å. Both Cr(1)-O(3) bond lengths are 2.06 Å. Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. Both Fe(1)-O(1) bond lengths are 2.05 Å. Both Fe(1)-O(3) bond lengths are 2.14 Å. Both Fe(1)-O(6) bond lengths are 1.99 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one Cr(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(1), and one Fe(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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom.