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  • Chem Sci Trans., 2012, 1(1),  pp 103-110  

    DOI:10.7598/cst2012.147

    Research Article

    Synthesis and Single Crystal X-ray Structure of the Monoclinic Sodium Copper Borate (Na2Cu2B12O21)

  • FATHIA RAJAH1, MOHSEN GRAIA2* and TAHAR MHIRI1
  • 1Laboratoire de L’Etat Solide, Faculté des Sciences de Sfax, Université de Sfax, Tunisia
    2Laboratoire de Matériaux et de Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis-El Manar, 2092 El Manar II Tunis, Tunisia
  • Abstract

    Sodium copper borate, Na2Cu2B12O2121, is a member of the Na2M2B12O (M(II) = Ni, Cu and Co) structure type. It has been synthesized by a solid-state reaction. Single-crystal XRD analysis showed that it crystallizes in the monoclinic system, I 2/a space-group with a = 17.353(1), b = 4.671(1), c = 19.672(1)Å, ß= 101.42(1)°, Z = 4. The new anhydrous borate shows a 3-D framework crystal structure. It contains a discernible tunnel structure constructed from BO4 tetrahedra, BO3 trigonal units and CuO6 octahedra. Seven-coordinate Na+ cations lie in the large tunnels that extend along the b axis. This structural model is validated by the charge distribution (CD) analysis.

    Keywords

    Na2Cu2B12O21, Crystal structure, X-ray diffraction, Charge distribution (CD)

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