LiNbO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Nb(1)O6 pentagonal pyramids, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Nb(1)O6 pentagonal pyramids. Nb(1) is bonded to six equivalent O(1) atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Nb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. O(1) is bonded to three equivalent Li(1) and three equivalent Nb(1) atoms to form a mixture of edge, corner, and face-sharing OLi3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 0-46°.
LiNbO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Nb(1)O6 pentagonal pyramids, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Nb(1)O6 pentagonal pyramids. All Li(1)-O(1) bond lengths are 2.11 Å. Nb(1) is bonded to six equivalent O(1) atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Nb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. All Nb(1)-O(1) bond lengths are 2.15 Å. O(1) is bonded to three equivalent Li(1) and three equivalent Nb(1) atoms to form a mixture of edge, corner, and face-sharing OLi3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 0-46°.