VZnO2 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(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(3)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(3), and two equivalent O(6) atoms. In the third V site, V(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(8) atoms to form distorted VO5 square pyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent V(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 46-51°. In the fourth V site, V(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(3)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one O(7) atom. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one O(5) atom. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth Zn site, Zn(4) is bonded in a water-like geometry to one O(6) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(4), two equivalent V(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Zn(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(4), and one Zn(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent V(3), one Zn(3), and one Zn(4) atom.
VZnO2 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(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(3)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The V(1)-O(2) bond length is 1.98 Å. The V(1)-O(7) bond length is 2.09 Å. There is one shorter (2.03 Å) and one longer (2.08 Å) V(1)-O(4) bond length. There is one shorter (2.00 Å) and one longer (2.03 Å) V(1)-O(5) bond length. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(3), and two equivalent O(6) atoms. The V(2)-O(4) bond length is 1.79 Å. There is one shorter (1.97 Å) and one longer (1.98 Å) V(2)-O(3) bond length. There is one shorter (1.93 Å) and one longer (1.96 Å) V(2)-O(6) bond length. In the third V site, V(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(8) atoms to form distorted VO5 square pyramids that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and edges with two equivalent V(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 46-51°. The V(3)-O(1) bond length is 1.80 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) V(3)-O(2) bond length. There is one shorter (1.97 Å) and one longer (2.02 Å) V(3)-O(8) bond length. In the fourth V site, V(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(3)O5 square pyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The V(4)-O(3) bond length is 2.01 Å. The V(4)-O(5) bond length is 2.09 Å. There is one shorter (2.01 Å) and one longer (2.06 Å) V(4)-O(1) bond length. There is one shorter (2.02 Å) and one longer (2.04 Å) V(4)-O(7) bond length. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one O(7) atom. The Zn(1)-O(7) bond length is 2.01 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one O(5) atom. The Zn(2)-O(5) bond length is 2.08 Å. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one O(8) atom. The Zn(3)-O(8) bond length is 2.09 Å. In the fourth Zn site, Zn(4) is bonded in a water-like geometry to one O(6) and one O(8) atom. The Zn(4)-O(6) bond length is 1.97 Å. The Zn(4)-O(8) bond length is 2.26 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(4), two equivalent V(1), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Zn(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(4), and one Zn(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent V(3), one Zn(3), and one Zn(4) atom.