MgFe3O4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form OFe6 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(2)Mg3Fe3 octahedra, and edges with nine equivalent O(1)Fe6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form OMg3Fe3 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(1)Fe6 octahedra, and edges with nine equivalent O(2)Mg3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.
MgFe3O4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mg(1)-O(2) bond lengths are 2.13 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Fe(1)-O(1) bond lengths are 2.17 Å. All Fe(1)-O(2) bond lengths are 2.19 Å. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedra are not tilted. All Fe(2)-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 Fe(1) and three equivalent Fe(2) atoms to form OFe6 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(2)Mg3Fe3 octahedra, and edges with nine equivalent O(1)Fe6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form OMg3Fe3 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Mg3Fe3 octahedra, edges with three equivalent O(1)Fe6 octahedra, and edges with nine equivalent O(2)Mg3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.