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Issue 17, 2011
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First single-crystal synthesis and low-temperature structural determination of the quasi-2D quantum spin compound (CuCl)LaNb2O7

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Abstract

We provide a full description of the first single-crystal synthesis of the low-dimensional quantum spin compound (CuCl)LaNb2O7 through the low-temperature topotactic ion exchange route. Very fast diffusion of ion-exchanged CuCl and Cs ions is observed. In addition, thorough structure determination at very low temperature is outlined following use of single-crystal X-ray diffraction and powder neutron diffraction, taking advantage of the better sensitivity of the latter method for describing O and Cl atoms. State-of-the-art calculations (Maximum Entropy Method) are used for visualising the fine structural features of this unusual pseudo-tetragonal superstructure. Our study unambiguously throws light on the long-standing controversy concerning the crystal structure of this compound, and allows for a relevant description of its magnetic properties. Incidentally, it is demonstrated that the low-temperature structural model tentatively proposed very recently by Tsirlin et al. (Phys. Rev. B, 2010, 82, 054107), according to powder synchrotron X-ray diffraction, is correct.

Graphical abstract: First single-crystal synthesis and low-temperature structural determination of the quasi-2D quantum spin compound (CuCl)LaNb2O7

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Publication details

The article was received on 22 Nov 2010, accepted on 23 Feb 2011 and first published on 26 Mar 2011


Article type: Paper
DOI: 10.1039/C0DT01665A
Dalton Trans., 2011,40, 4605-4613

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    First single-crystal synthesis and low-temperature structural determination of the quasi-2D quantum spin compound (CuCl)LaNb2O7

    O. J. Hernandez, C. Tassel, K. Nakano, W. Paulus, C. Ritter, E. Collet, A. Kitada, K. Yoshimura and H. Kageyama, Dalton Trans., 2011, 40, 4605
    DOI: 10.1039/C0DT01665A

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