VO2 is trigonal omega-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms.
VO2 is trigonal omega-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing VO6 octahedra. Both V(1)-O(2) bond lengths are 1.99 Å. There are two shorter (1.93 Å) and two longer (2.01 Å) V(1)-O(1) bond lengths. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. Both V(2)-O(1) bond lengths are 1.97 Å. There are two shorter (1.94 Å) and two longer (1.99 Å) V(2)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms.