Materials Data on NaAlO2 by Materials Project
NaAlO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent AlO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Na–O bond lengths are 2.36 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Al–O bond lengths are 1.96 Å. O2- is bonded to three equivalent Na1+ and three equivalent Al3+ atoms to form a mixture of corner and edge-sharing ONa3Al3 octahedra. The corner-sharing octahedral tilt angles are 0°.