NaTi2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with nine equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Ti(1) atoms to form ONa3Ti3 octahedra that share corners with three equivalent O(1)Na3Ti3 octahedra, corners with three equivalent O(2)Ti6 octahedra, edges with three equivalent O(2)Ti6 octahedra, and edges with nine equivalent O(1)Na3Ti3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to six equivalent Ti(1) atoms to form OTi6 octahedra that share corners with six equivalent O(1)Na3Ti3 octahedra, edges with six equivalent O(1)Na3Ti3 octahedra, and edges with six equivalent O(2)Ti6 octahedra. The corner-sharing octahedra are not tilted.
NaTi2O3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent Na(1)O6 octahedra, and edges with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Na(1)-O(1) bond lengths are 2.39 Å. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Na(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, and edges with nine equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. All Ti(1)-O(1) bond lengths are 2.10 Å. All Ti(1)-O(2) bond lengths are 2.11 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Ti(1) atoms to form ONa3Ti3 octahedra that share corners with three equivalent O(1)Na3Ti3 octahedra, corners with three equivalent O(2)Ti6 octahedra, edges with three equivalent O(2)Ti6 octahedra, and edges with nine equivalent O(1)Na3Ti3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to six equivalent Ti(1) atoms to form OTi6 octahedra that share corners with six equivalent O(1)Na3Ti3 octahedra, edges with six equivalent O(1)Na3Ti3 octahedra, and edges with six equivalent O(2)Ti6 octahedra. The corner-sharing octahedra are not tilted.