Local trimer orbital ordering in LiNiO2 studied by quantitative convergent beam electron diffraction technique

A local trimer orbital ordering model of LiNiO₂ was studied by means of theoretical calculation and experimental measurement of electron structure factors. Based on the trimer model, the electron structure factors were calculated by using the scattering factor of non-spherical Ni³⁺ ion. From these results, it is found that the effect of local orbital ordering on the electron structure factors of several subtle reflections, such as (202) and (107), is very large. The electron structure factors of these subtle reflections were measured by quantitative convergent beam electron diffraction method. The experimentally measured electron structure factor values of these reflections indicate that the trimer orbital ordering model is more close to the true structure of LiNiO₂.