TaVZn2O6 crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and corners with four equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-44°. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and corners with four equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-44°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-86°. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one V(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one V(1), and one Zn(2) atom. In the third O site, O(3) is bonded to two equivalent Ta(1), one Zn(1), and one Zn(2) atom to form distorted OTa2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)V2Zn2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent V(1), one Zn(1), and one Zn(2) atom to form OV2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)V2Zn2 tetrahedra.
TaVZn2O6 crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and corners with four equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-44°. Both Ta(1)-O(1) bond lengths are 1.97 Å. Both Ta(1)-O(2) bond lengths are 1.99 Å. Both Ta(1)-O(3) bond lengths are 2.06 Å. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and corners with four equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-44°. Both V(1)-O(1) bond lengths are 2.07 Å. Both V(1)-O(2) bond lengths are 2.05 Å. Both V(1)-O(4) bond lengths are 2.06 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-86°. The Zn(1)-O(3) bond length is 2.35 Å. The Zn(1)-O(4) bond length is 2.02 Å. Both Zn(1)-O(1) bond lengths are 2.03 Å. In the second Zn site, Zn(2) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. The Zn(2)-O(3) bond length is 2.10 Å. The Zn(2)-O(4) bond length is 2.10 Å. Both Zn(2)-O(2) bond lengths are 2.07 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one V(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(1), one V(1), and one Zn(2) atom. In the third O site, O(3) is bonded to two equivalent Ta(1), one Zn(1), and one Zn(2) atom to form distorted OTa2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)V2Zn2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent V(1), one Zn(1), and one Zn(2) atom to form OV2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)V2Zn2 tetrahedra.