Fe4NiZnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. Ni(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Fe(1)O6 octahedra. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(1), one Ni(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Fe(2) and three equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Ni(1) atom.
Fe4NiZnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The Fe(1)-O(1) bond length is 2.02 Å. The Fe(1)-O(3) bond length is 2.07 Å. Both Fe(1)-O(2) bond lengths are 1.99 Å. Both Fe(1)-O(4) bond lengths are 2.06 Å. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. The Fe(2)-O(3) bond length is 1.93 Å. All Fe(2)-O(4) bond lengths are 1.91 Å. Ni(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Fe(1)O6 octahedra. All Ni(1)-O(2) bond lengths are 2.05 Å. All Ni(1)-O(4) bond lengths are 2.07 Å. Zn(1) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with nine equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. The Zn(1)-O(1) bond length is 1.96 Å. All Zn(1)-O(2) bond lengths are 1.95 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe(1) and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(1), one Ni(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Fe(2) and three equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Ni(1) atom.