Figure 3
(a) View of the 1∞[Mn3+(VO4)2OH] chain looking down [010]. The black rings represent different radii that correlate with the progressive increase of the libration component of oxygen atoms further away from the centre of the chain. Purple and violet tetrahedra and green octahedra represent V1O4, V2O4 and [MnO6], respectively. Red ellipsoids represent O atoms; (b) large O2 disk-shaped ellipsoid oriented perpendicular to the V1—O bond (anisotropic displacement ellipsoids at the 99% probability level). Note the hydrogen bond O2⋯H—O7 (dashed lines). Purple, yellow and red ellipsoids represent V1O4, [Pb2O8] and O atoms, respectively. The blue sphere represents the H atom. |