TaWZn2O6 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 W(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. 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, corners with four equivalent W(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-84°. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-80°. 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 W(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 W(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 OTa2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2W2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent W(1), one Zn(1), and one Zn(2) atom to form distorted OZn2W2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2W2 tetrahedra.
TaWZn2O6 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 W(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. Both Ta(1)-O(1) bond lengths are 1.96 Å. Both Ta(1)-O(2) bond lengths are 1.99 Å. Both Ta(1)-O(3) bond lengths are 2.11 Å. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-49°. Both W(1)-O(1) bond lengths are 2.16 Å. Both W(1)-O(2) bond lengths are 2.19 Å. Both W(1)-O(4) bond lengths are 2.15 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, corners with four equivalent W(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-84°. The Zn(1)-O(3) bond length is 2.30 Å. The Zn(1)-O(4) bond length is 2.01 Å. Both Zn(1)-O(1) bond lengths are 2.02 Å. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-80°. The Zn(2)-O(3) bond length is 2.12 Å. The Zn(2)-O(4) bond length is 2.04 Å. Both Zn(2)-O(2) bond lengths are 2.03 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 W(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 W(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 OTa2Zn2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2W2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent W(1), one Zn(1), and one Zn(2) atom to form distorted OZn2W2 tetrahedra that share corners with two equivalent O(3)Ta2Zn2 tetrahedra and corners with two equivalent O(4)Zn2W2 tetrahedra.