V4Zn(CuO4)3 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and faces with two equivalent Zn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and faces with two equivalent Zn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and faces with two equivalent Zn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 39-40°. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and faces with two equivalent Zn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-40°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form ZnO12 cuboctahedra that share faces with two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent V(3)O6 octahedra, and faces with two equivalent V(4)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(2), one V(4), one Cu(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(3), one Cu(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2), one V(3), one Cu(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(3), one V(4), one Cu(3), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), one Cu(3), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(1), one V(4), one Cu(1), and one Zn(1) atom.
V4Zn(CuO4)3 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and faces with two equivalent Zn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-39°. Both V(1)-O(2) bond lengths are 1.96 Å. Both V(1)-O(5) bond lengths are 2.00 Å. Both V(1)-O(6) bond lengths are 1.90 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and faces with two equivalent Zn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-39°. Both V(2)-O(1) bond lengths are 2.01 Å. Both V(2)-O(3) bond lengths are 1.96 Å. Both V(2)-O(5) bond lengths are 1.90 Å. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and faces with two equivalent Zn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 39-40°. Both V(3)-O(2) bond lengths are 1.95 Å. Both V(3)-O(3) bond lengths are 1.96 Å. Both V(3)-O(4) bond lengths are 1.95 Å. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and faces with two equivalent Zn(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 38-40°. Both V(4)-O(1) bond lengths are 1.90 Å. Both V(4)-O(4) bond lengths are 1.97 Å. Both V(4)-O(6) bond lengths are 2.00 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. Both Cu(1)-O(3) bond lengths are 1.96 Å. Both Cu(1)-O(6) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(2)-O(1) bond lengths are 1.97 Å. Both Cu(2)-O(2) bond lengths are 1.97 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Cu(3)-O(4) bond lengths are 1.96 Å. Both Cu(3)-O(5) bond lengths are 1.97 Å. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form ZnO12 cuboctahedra that share faces with two equivalent V(1)O6 octahedra, faces with two equivalent V(2)O6 octahedra, faces with two equivalent V(3)O6 octahedra, and faces with two equivalent V(4)O6 octahedra. Both Zn(1)-O(1) bond lengths are 2.59 Å. Both Zn(1)-O(2) bond lengths are 2.57 Å. Both Zn(1)-O(3) bond lengths are 2.59 Å. Both Zn(1)-O(4) bond lengths are 2.57 Å. Both Zn(1)-O(5) bond lengths are 2.60 Å. Both Zn(1)-O(6) bond lengths are 2.59 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(2), one V(4), one Cu(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(3), one Cu(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2), one V(3), one Cu(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(3), one V(4), one Cu(3), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), one Cu(3), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(1), one V(4), one Cu(1), and one Zn(1) atom.