IrNiZn2O6 crystallizes in the monoclinic Pc space group. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form IrO6 octahedra that share corners with six equivalent Ni(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°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent Ir(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°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-86°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(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 61-85°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ir(1), one Ni(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OZn2NiIr tetrahedra. In the second O site, O(2) is bonded to one Ir(1), one Ni(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OZn2NiIr tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(2) atom.
IrNiZn2O6 crystallizes in the monoclinic Pc space group. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form IrO6 octahedra that share corners with six equivalent Ni(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°. The Ir(1)-O(1) bond length is 2.00 Å. The Ir(1)-O(2) bond length is 2.00 Å. The Ir(1)-O(3) bond length is 1.95 Å. The Ir(1)-O(4) bond length is 1.95 Å. The Ir(1)-O(5) bond length is 1.93 Å. The Ir(1)-O(6) bond length is 1.93 Å. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent Ir(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°. The Ni(1)-O(1) bond length is 2.14 Å. The Ni(1)-O(2) bond length is 2.14 Å. The Ni(1)-O(3) bond length is 2.02 Å. The Ni(1)-O(4) bond length is 2.02 Å. The Ni(1)-O(5) bond length is 2.13 Å. The Ni(1)-O(6) bond length is 2.12 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-86°. The Zn(1)-O(1) bond length is 2.04 Å. The Zn(1)-O(2) bond length is 2.05 Å. The Zn(1)-O(3) bond length is 2.02 Å. The Zn(1)-O(5) bond length is 2.02 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(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 61-85°. The Zn(2)-O(1) bond length is 2.05 Å. The Zn(2)-O(2) bond length is 2.04 Å. The Zn(2)-O(4) bond length is 2.02 Å. The Zn(2)-O(6) bond length is 2.02 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ir(1), one Ni(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OZn2NiIr tetrahedra. In the second O site, O(2) is bonded to one Ir(1), one Ni(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OZn2NiIr tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(2) atom.