Mg2ZnO3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with nine equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Mg(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°. 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)Mg6 octahedra, edges with three equivalent O(2)Mg6 octahedra, and edges with nine equivalent O(1)Mg3Zn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to six equivalent Mg(1) atoms to form OMg6 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)Mg6 octahedra. The corner-sharing octahedral tilt angles are 1°.
Mg2ZnO3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with nine equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Mg(1)-O(1) bond lengths are 2.12 Å. All Mg(1)-O(2) bond lengths are 2.14 Å. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Mg(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 Zn(1)-O(1) bond lengths are 2.17 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)Mg6 octahedra, edges with three equivalent O(2)Mg6 octahedra, and edges with nine equivalent O(1)Mg3Zn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to six equivalent Mg(1) atoms to form OMg6 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)Mg6 octahedra. The corner-sharing octahedral tilt angles are 1°.