V4CuO11 crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), and two equivalent O(6) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(7), and two equivalent O(9) atoms. Cu(1) is bonded to one O(1), one O(11), two equivalent O(10), and two equivalent O(8) atoms to form edge-sharing CuO6 octahedra. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(1) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(2), one V(3), and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(1), one V(4), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent Cu(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(4) atoms. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Cu(1) atoms. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Cu(1) atom.
V4CuO11 crystallizes in the monoclinic Cm space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), and two equivalent O(6) atoms. The V(1)-O(10) bond length is 1.68 Å. The V(1)-O(3) bond length is 2.11 Å. The V(1)-O(4) bond length is 1.74 Å. The V(1)-O(7) bond length is 2.53 Å. Both V(1)-O(6) bond lengths are 1.89 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. The V(2)-O(1) bond length is 1.68 Å. The V(2)-O(2) bond length is 1.76 Å. The V(2)-O(5) bond length is 2.06 Å. The V(2)-O(6) bond length is 2.29 Å. Both V(2)-O(3) bond lengths are 1.90 Å. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. The V(3)-O(5) bond length is 1.70 Å. The V(3)-O(6) bond length is 2.50 Å. The V(3)-O(8) bond length is 1.71 Å. The V(3)-O(9) bond length is 2.18 Å. Both V(3)-O(7) bond lengths are 1.89 Å. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(7), and two equivalent O(9) atoms. The V(4)-O(11) bond length is 1.67 Å. The V(4)-O(2) bond length is 1.89 Å. The V(4)-O(4) bond length is 1.92 Å. The V(4)-O(7) bond length is 2.25 Å. Both V(4)-O(9) bond lengths are 1.89 Å. Cu(1) is bonded to one O(1), one O(11), two equivalent O(10), and two equivalent O(8) atoms to form edge-sharing CuO6 octahedra. The Cu(1)-O(1) bond length is 1.86 Å. The Cu(1)-O(11) bond length is 1.87 Å. Both Cu(1)-O(10) bond lengths are 2.32 Å. Both Cu(1)-O(8) bond lengths are 2.22 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one Cu(1) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(2), one V(3), and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one V(1), one V(4), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent Cu(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(4) atoms. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Cu(1) atoms. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(4) and one Cu(1) atom.