VO2 is Hydrophilite-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(9), two equivalent O(13), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second V site, V(2) is bonded to one O(2), one O(7), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third V site, V(3) is bonded to one O(3), one O(6), two equivalent O(11), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth V site, V(4) is bonded to one O(4), one O(5), two equivalent O(12), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the fifth V site, V(5) is bonded to one O(12), one O(15), two equivalent O(1), and two equivalent O(16) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the sixth V site, V(6) is bonded to one O(11), one O(16), two equivalent O(15), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the seventh V site, V(7) is bonded to one O(10), one O(13), two equivalent O(14), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the eighth V site, V(8) is bonded to one O(1), one O(8), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(8) and two equivalent V(5) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(6) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(7) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(4) and two equivalent V(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(4) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(8) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one V(8) and two equivalent V(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(8) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one V(7) and two equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one V(6) and two equivalent V(3) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one V(5) and two equivalent V(4) atoms. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one V(7) and two equivalent V(1) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(7) atoms. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one V(5) and two equivalent V(6) atoms. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one V(6) and two equivalent V(5) atoms.
VO2 is Hydrophilite-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(9), two equivalent O(13), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The V(1)-O(14) bond length is 1.98 Å. The V(1)-O(9) bond length is 1.91 Å. There is one shorter (1.95 Å) and one longer (1.98 Å) V(1)-O(13) bond length. Both V(1)-O(4) bond lengths are 1.99 Å. In the second V site, V(2) is bonded to one O(2), one O(7), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The V(2)-O(2) bond length is 1.96 Å. The V(2)-O(7) bond length is 1.87 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) V(2)-O(10) bond length. There is one shorter (2.04 Å) and one longer (2.05 Å) V(2)-O(8) bond length. In the third V site, V(3) is bonded to one O(3), one O(6), two equivalent O(11), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. The V(3)-O(3) bond length is 1.99 Å. The V(3)-O(6) bond length is 1.83 Å. There is one shorter (1.95 Å) and one longer (1.96 Å) V(3)-O(11) bond length. There is one shorter (2.02 Å) and one longer (2.03 Å) V(3)-O(5) bond length. In the fourth V site, V(4) is bonded to one O(4), one O(5), two equivalent O(12), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The V(4)-O(4) bond length is 1.94 Å. The V(4)-O(5) bond length is 1.86 Å. There is one shorter (1.95 Å) and one longer (1.96 Å) V(4)-O(12) bond length. There is one shorter (2.03 Å) and one longer (2.04 Å) V(4)-O(6) bond length. In the fifth V site, V(5) is bonded to one O(12), one O(15), two equivalent O(1), and two equivalent O(16) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. The V(5)-O(12) bond length is 1.96 Å. The V(5)-O(15) bond length is 2.02 Å. There is one shorter (1.87 Å) and one longer (2.19 Å) V(5)-O(1) bond length. There is one shorter (1.92 Å) and one longer (1.95 Å) V(5)-O(16) bond length. In the sixth V site, V(6) is bonded to one O(11), one O(16), two equivalent O(15), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The V(6)-O(11) bond length is 1.95 Å. The V(6)-O(16) bond length is 2.02 Å. There is one shorter (1.92 Å) and one longer (1.95 Å) V(6)-O(15) bond length. There is one shorter (1.87 Å) and one longer (2.19 Å) V(6)-O(2) bond length. In the seventh V site, V(7) is bonded to one O(10), one O(13), two equivalent O(14), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. The V(7)-O(10) bond length is 2.01 Å. The V(7)-O(13) bond length is 1.95 Å. There is one shorter (1.93 Å) and one longer (1.98 Å) V(7)-O(14) bond length. There is one shorter (1.85 Å) and one longer (2.18 Å) V(7)-O(3) bond length. In the eighth V site, V(8) is bonded to one O(1), one O(8), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. The V(8)-O(1) bond length is 1.97 Å. The V(8)-O(8) bond length is 1.83 Å. There is one shorter (2.01 Å) and one longer (2.02 Å) V(8)-O(7) bond length. There is one shorter (1.97 Å) and one longer (1.99 Å) V(8)-O(9) bond length. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(8) and two equivalent V(5) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(6) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(7) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one V(4) and two equivalent V(3) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one V(3) and two equivalent V(4) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(8) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one V(8) and two equivalent V(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(8) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one V(7) and two equivalent V(2) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one V(6) and two equivalent V(3) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one V(5) and two equivalent V(4) atoms. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one V(7) and two equivalent V(1) atoms. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(7) atoms. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one V(5) and two equivalent V(6) atoms. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one V(6) and two equivalent V(5) atoms.