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Coupled cation and charge ordering in the CaMn3O6 tunnel structure

Hadermann, J., Abakumov, A.M., Gillie, Lisa .J., Martin, Christine, Kockelmann, W. and Hervieu, M. (2006) Coupled cation and charge ordering in the CaMn3O6 tunnel structure. Chemistry of Materials, 18 (23). pp. 5530-5536. ISSN 0897-4756

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    The synthesis and crystal structure of a mixed valent manganite CaMn3O6, equivalent to Ca2/3Mn2O4, are reported, along with the magnetic properties. The structure was determined using electron diffraction and high-resolution transmission electron microscopy and refined from X-ray and neutron powder diffraction data (a = 10.6940(3) Å, b = 11.3258(3) Å, c = 8.4881(2) Å, = 122.358(2), space group P21/a, RI = 0.037, RP = 0.118). The structure is based on a framework of double chains of edge-sharing MnO6 octahedra. The corner-sharing chains form a framework with six-sided tunnels, identical to that of the CaFe2O4 structure. The Ca2+ cations are located in the tunnels. Compared to CaFe2O4, one-third of the Ca positions in the tunnels remain vacant, with an ordered distribution of vacant and occupied sites. The empty sites in neighboring Ca chains are shifted relative to each other along the c-axis by one period of the CaFe2O4 subcell, which results in a symmetry decrease from orthorhombic to monoclinic. Based on the interatomic Mn-O distances, the charge ordering in CaMn3O6 is discussed. The compound exhibits a strong anti-ferromagnetic character, and differences between the zfc and fc magnetization curves at low temperature suggest ferro- or ferrimagnetic interactions.

    Item Type: Article
    Additional Information: © 2006 American Chemical Society
    Subjects: Q Science > QD Chemistry
    Schools: School of Applied Sciences
    School of Applied Sciences > Materials and Catalysis Research Centre
    Related URLs:

    (1) Mu¨ller-Buschbaum, Hk. J. Alloys Compd. 2003, 349, 49.
    (2) Bertaut, F.; Blum, P. J. Phys. 1956, 17, 517.
    (3) Giesber, H. G.; Pennington, W. T.; Kolis, J. W. Acta Crystallogr. 2001,
    C57, 329.
    (4) Becker, D. F.; Casper, J. S. Acta Crystallogr. 1957, 10, 332.
    (5) Gillie, L. J.; Hadermann, J.; Perez, O.; Martin, C.; Hervieu, M.; Suard,
    E. J. Solid State Chem. 2004, 177, 3383.
    (6) Boullay, Ph.; Hervieu, M.; Raveau, B. J. Solid State Chem. 1997, 132,
    (7) Barrier, N.; Michel, C.; Maignan, A.; Hervieu, M.; Raveau, B. J. Mater.
    Chem. 2005, 15, 386.
    (8) Parant, J.-P.; Olazcuaga, R.; Devalette, M.; Fouassier, C.; Hagenmuller,
    P. J. Solid State Chem. 1971, 3, 1.
    (9) Floros, N.; Michel, C.; Hervieu, M.; Raveau, B. J. Solid State Chem.
    2001, 162, 34.

    Depositing User: Briony Heyhoe
    Date Deposited: 10 Oct 2007
    Last Modified: 13 Oct 2010 13:48


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