Ba3ZnN2O crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent N(1) and one O(1) atom to form BaN4O square pyramids that share corners with five equivalent Ba(1)N4O square pyramids, edges with four equivalent Ba(2)N2O4 octahedra, and edges with four equivalent Ba(1)N4O square pyramids. In the second Ba site, Ba(2) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form BaN2O4 octahedra that share corners with four equivalent Ba(2)N2O4 octahedra, edges with four equivalent Ba(2)N2O4 octahedra, and edges with eight equivalent Ba(1)N4O square pyramids. The corner-sharing octahedra are not tilted. Zn(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Ba(2), four equivalent Ba(1), and one Zn(1) atom to form distorted NBa5Zn octahedra that share corners with six equivalent N(1)Ba5Zn octahedra, edges with four equivalent N(1)Ba5Zn octahedra, and edges with four equivalent O(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. O(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form OBa6 octahedra that share corners with four equivalent O(1)Ba6 octahedra, edges with four equivalent O(1)Ba6 octahedra, and edges with eight equivalent N(1)Ba5Zn octahedra. The corner-sharing octahedra are not tilted.
Ba3ZnN2O crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent N(1) and one O(1) atom to form BaN4O square pyramids that share corners with five equivalent Ba(1)N4O square pyramids, edges with four equivalent Ba(2)N2O4 octahedra, and edges with four equivalent Ba(1)N4O square pyramids. All Ba(1)-N(1) bond lengths are 2.94 Å. The Ba(1)-O(1) bond length is 2.62 Å. In the second Ba site, Ba(2) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form BaN2O4 octahedra that share corners with four equivalent Ba(2)N2O4 octahedra, edges with four equivalent Ba(2)N2O4 octahedra, and edges with eight equivalent Ba(1)N4O square pyramids. The corner-sharing octahedra are not tilted. Both Ba(2)-N(1) bond lengths are 2.79 Å. All Ba(2)-O(1) bond lengths are 2.93 Å. Zn(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Zn(1)-N(1) bond lengths are 1.85 Å. N(1) is bonded to one Ba(2), four equivalent Ba(1), and one Zn(1) atom to form distorted NBa5Zn octahedra that share corners with six equivalent N(1)Ba5Zn octahedra, edges with four equivalent N(1)Ba5Zn octahedra, and edges with four equivalent O(1)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. O(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form OBa6 octahedra that share corners with four equivalent O(1)Ba6 octahedra, edges with four equivalent O(1)Ba6 octahedra, and edges with eight equivalent N(1)Ba5Zn octahedra. The corner-sharing octahedra are not tilted.