MgZn2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with nine equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Zn(1) atoms to form OMg3Zn3 octahedra that share corners with three equivalent O(1)Mg3Zn3 octahedra, corners with three equivalent O(2)Zn6 octahedra, edges with three equivalent O(2)Zn6 octahedra, and edges with nine equivalent O(1)Mg3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to six equivalent Zn(1) atoms to form OZn6 octahedra that share corners with six equivalent O(1)Mg3Zn3 octahedra, edges with six equivalent O(1)Mg3Zn3 octahedra, and edges with six equivalent O(2)Zn6 octahedra. The corner-sharing octahedra are not tilted.
MgZn2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mg(1)-O(1) bond lengths are 2.13 Å. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with nine equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Zn(1)-O(1) bond lengths are 2.17 Å. All Zn(1)-O(2) bond lengths are 2.16 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Zn(1) atoms to form OMg3Zn3 octahedra that share corners with three equivalent O(1)Mg3Zn3 octahedra, corners with three equivalent O(2)Zn6 octahedra, edges with three equivalent O(2)Zn6 octahedra, and edges with nine equivalent O(1)Mg3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to six equivalent Zn(1) atoms to form OZn6 octahedra that share corners with six equivalent O(1)Mg3Zn3 octahedra, edges with six equivalent O(1)Mg3Zn3 octahedra, and edges with six equivalent O(2)Zn6 octahedra. The corner-sharing octahedra are not tilted.