Synthesis, Crystal Structure and Magnetic Properties of the New One-Dimensional Manganate CsMnO.

CsMnO, a new member of the small family of ternary manganese (II/III) mixed-valent compounds, has been synthesized via the azide/nitrate route and studied using powder and single crystal X-ray diffraction, magnetic susceptibility measurements and density functional theory (DFT). Its crystal structur...

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Published in:Journal of the American Chemical Society Vol. 134; no. 28; pp. 11734 - 11740
Main Authors: Nuss, Jurgen, Señaris-Rodriguez, Maria A., Dasari, Prasad L. V. K., Stahl, Moritz, Jansen, Martin
Format: Article
Published: American Chemical Society 7/18/2012
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      dt: 7/18/2012
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        10.1021/ja303889g
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        atl: Synthesis, Crystal Structure and Magnetic Properties of the New One-Dimensional Manganate CsMnO.
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          Nuss, Jurgen
          Señaris-Rodriguez, Maria A.
          Dasari, Prasad L. V. K.
          Stahl, Moritz
          Jansen, Martin
        affil:
          Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany
          Dpto Química Fundamental, Facultad de Ciencias, Universidad de A Coruña, 15071 A Coruña, Spain
          Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853, United States
      su:
        Manganese compounds
        Chemical synthesis
        Measurement of magnetic properties
        Density functionals
        Electronic structure
        Antiferromagnetism
        Ferromagnetism
        Crystallography
      sug:
        subj:
          Manganese compounds
          Chemical synthesis
          Measurement of magnetic properties
          Density functionals
          Electronic structure
          Antiferromagnetism
          Ferromagnetism
          Crystallography
      ab: CsMnO, a new member of the small family of ternary manganese (II/III) mixed-valent compounds, has been synthesized via the azide/nitrate route and studied using powder and single crystal X-ray diffraction, magnetic susceptibility measurements and density functional theory (DFT). Its crystal structure (P2/c, Z = 8, a = 1276.33(1) pm, b = 1082.31(2) pm, c = 1280.29(2) pm, /3 = 118.390(2)°) is based on one-dimensional MnO chains built up from edge-sharing MnO tetrahedra. The title compound is the first example of an intrinsically doped transition metalate of the series AMnO, (A = alkali metal) where a complete 1:1 charge ordering of Mn and Mn is observed along the chains -Mn-Mn). From the magnetic point of view it basically consists of ferrimagnetic MnO chains, where the Mn and Mn ions are strongly antiferromagnetically coupled up to high temperatures. Very interestingly, their long-range three-dimensional ordering below the Néel temperature (T) ~12 K give rise to conspicuous field dependent magnetic ordering phenomena, for which we propose a consistent picture based on the change from antiferromagnetic to ferromagnetic coupling between the chains. Electronic structure calculations confirm the antiferromagnetic ordering as the ground state for CsMnO and ferrimagnetic ordering as its nearly degenerate state.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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