Materials Data on NaNbO2 by Materials Project
NaNbO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc 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 NbO6 pentagonal pyramids, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. All Na–O bond lengths are 2.36 Å. Nb3+ is bonded to six equivalent O2- atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 5°. All Nb–O bond lengths are 2.18 Å. O2- is bonded to three equivalent Na1+ and three equivalent Nb3+ atoms to form a mixture of edge, corner, and face-sharing ONa3Nb3 octahedra. The corner-sharing octahedra tilt angles range from 0–47°.