VTa2O6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one V(1) atom.
VTa2O6 is Rutile-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. Both Ta(1)-O(1) bond lengths are 2.00 Å. There are two shorter (1.98 Å) and two longer (2.00 Å) Ta(1)-O(2) bond lengths. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. Both V(1)-O(1) bond lengths are 2.10 Å. All V(1)-O(2) bond lengths are 2.11 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one V(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one V(1) atom.