BaMg3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded to six O(1,1,1) atoms to form BaO6 octahedra that share corners with six equivalent Ba(1)O6 octahedra and edges with twelve equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. Mg(1) is bonded to two equivalent O(2) and four O(1,1) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with four equivalent Ba(1)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Mg(1) atoms to form OBa2Mg4 octahedra that share corners with six equivalent O(1)Ba2Mg4 octahedra; edges with four equivalent O(2)Mg6 octahedra; and edges with eight O(1,1)Ba2Mg4 octahedra. The corner-sharing octahedra are not tilted. 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(2)Mg6 octahedra and edges with twelve O(1,1,1)Ba2Mg4 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Mg(1) atoms to form OBa2Mg4 octahedra that share corners with six equivalent O(1)Ba2Mg4 octahedra; edges with four equivalent O(2)Mg6 octahedra; and edges with eight O(1,1)Ba2Mg4 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Mg(1) atoms to form OBa2Mg4 octahedra that share corners with six equivalent O(1)Ba2Mg4 octahedra; edges with four equivalent O(2)Mg6 octahedra; and edges with eight O(1,1)Ba2Mg4 octahedra. The corner-sharing octahedra are not tilted.
BaMg3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded to six O(1,1,1) atoms to form BaO6 octahedra that share corners with six equivalent Ba(1)O6 octahedra and edges with twelve equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. All Ba(1)-O(1,1,1) bond lengths are 2.42 Å. Mg(1) is bonded to two equivalent O(2) and four O(1,1) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with four equivalent Ba(1)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Mg(1)-O(2) bond lengths are 2.42 Å. All Mg(1)-O(1,1) bond lengths are 2.42 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Mg(1) atoms to form OBa2Mg4 octahedra that share corners with six equivalent O(1)Ba2Mg4 octahedra; edges with four equivalent O(2)Mg6 octahedra; and edges with eight O(1,1)Ba2Mg4 octahedra. The corner-sharing octahedra are not tilted. All O(1)-Mg(1) bond lengths are 2.42 Å. 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(2)Mg6 octahedra and edges with twelve O(1,1,1)Ba2Mg4 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Mg(1) atoms to form OBa2Mg4 octahedra that share corners with six equivalent O(1)Ba2Mg4 octahedra; edges with four equivalent O(2)Mg6 octahedra; and edges with eight O(1,1)Ba2Mg4 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Mg(1) atoms to form OBa2Mg4 octahedra that share corners with six equivalent O(1)Ba2Mg4 octahedra; edges with four equivalent O(2)Mg6 octahedra; and edges with eight O(1,1)Ba2Mg4 octahedra. The corner-sharing octahedra are not tilted.