Figure 3

Illustration of rhombohedral distortion. (a) LMO in hexagonal representation: rotations of MnO6 octahedra as x-coordinates of oxygen atoms change; (b) LMO in a rhombohedral primitive cell: preferred movements by thermal ellipsoids, and stacking of tilted MnO6 octahedra; (c) Theoretical variations of Mn-O distance and Mn-O-Mn angle (the inset) according to x-coordinates of oxygen for the sintered (100 μC), as-prepared (100 μC) and un-doped cell. The measured data are also given for the as-prepared samples (red circles, the filled ones denote the un-doped case).