SrMn3O6: An incommensurate modulated tunnel structure

L. J. Gillie, J. Hadermann, O. Pérez, C. Martin, M. Hervieu, E. Suard

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The crystallographic structure of a mixed valent manganite SrMn 3O6 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 P2 1/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 NaxFe xTi2-xO4 and Pb1.5BaMn 6Al2O16, 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 TN∼46K.

Original languageEnglish
Pages (from-to)3383-3391
Number of pages9
JournalJournal of Solid State Chemistry
Issue number10
Early online date20 Jul 2004
Publication statusPublished - Oct 2004
Externally publishedYes


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