Materials Data on NaScO2 by Materials Project
NaScO2 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 NaO6 octahedra that share corners with six equivalent ScO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Na–O bond lengths are 2.45 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Sc–O bond lengths are 2.15 Å. O2- is bonded to three equivalent Na1+ and three equivalent Sc3+ atoms to form a mixture of edge and corner-sharing ONa3Sc3 octahedra. The corner-sharing octahedral tilt angles are 0°.