Gillie, Lisa .J., Hadermann, J., Pérez, O., Martin, Christine, Hervieu, M. and Suard, E. (2004) SrMn3O6: an incommensurate modulated tunnel structure. Journal of Solid State Chemistry, 177 (10). pp. 3383-3391. ISSN 00224596

The crystallographic structure of a mixed valent manganite SrMn3O6 with a 1D modulated structure is reported. The SrMn3O6 structure can be described with the basic subcell space group Pnma (a=9.1334(5) Å; b=2.8219(2) Å; c=12.0959(7)Å), but transmission electron microscopy revealed that the study of the real structure requires a 4D-formalism approach with superspace group P21/a(αβ0)00 (unique axis c), with a modulation wave vector q having the approximate components (0.52a*+0.31b*). The crystallographic structure is closely related to those of NaxFexTi2−xO4 and Pb1.5BaMn6Al2O16, comprising of unusual “figure-of-eight”-shaped tunnels, made up of strings of edge- and corner-sharing (Fe/Ti)O6 or (Mn/Al)O6 octahedra, with the other cations situated in the tunnel cavities. Structural refinement was performed on X-ray and neutron powder diffraction data using the 4D formalism. All atoms in the crystal are affected by a displacive modulation wave, and a saw tooth function is employed to model the displacement and occupancy of the Sr sites. Magnetic susceptibility measurements reveal a sharp antiferromagnetic transition with TN46 K.

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