WNiZn2O6 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-49°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-49°. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-87°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one W(1), one Ni(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1), one Ni(1), and one Zn(1) atom. In the third O site, O(3) is bonded to one W(1), one Ni(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2NiW tetrahedra.
WNiZn2O6 is pyrite-derived structured and crystallizes in the monoclinic P2_1/c space group. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form WO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-49°. Both W(1)-O(1) bond lengths are 1.94 Å. Both W(1)-O(2) bond lengths are 1.94 Å. Both W(1)-O(3) bond lengths are 2.00 Å. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent W(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-49°. Both Ni(1)-O(1) bond lengths are 2.14 Å. Both Ni(1)-O(2) bond lengths are 2.03 Å. Both Ni(1)-O(3) bond lengths are 2.16 Å. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-87°. The Zn(1)-O(1) bond length is 2.01 Å. The Zn(1)-O(2) bond length is 2.05 Å. There is one shorter (2.06 Å) and one longer (2.11 Å) Zn(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one W(1), one Ni(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one W(1), one Ni(1), and one Zn(1) atom. In the third O site, O(3) is bonded to one W(1), one Ni(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2NiW tetrahedra.