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Structural reinvestigation of the photoluminescent complex [NdCl2(H2O)(6)]Cl

Abstract : The structure of the photoluminescent compound hexaaqua-dichloridoneodymium(III) chloride has been redetermined from single-crystal X-ray diffraction data at 100 K, with the aim of providing an accurate structural model for the bulk crystalline material. The crystal structure may be described as a network of [NdCl2(H2O)(6)](+) cations with distorted square-antiprism geometry around the Nd-III centre. The Nd-III cation and the nonbonded Cl- anion are both located on twofold symmetry axes. The crystal packing consists of three different neodymium pairs linked by a three-dimensional network of O-H center dot center dot center dot Cl intermolecular interactions. The pair distribution function (PDF) calculated from the experimentally determined structure is used for the discussion of the local structure.
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Submitted on : Thursday, May 11, 2017 - 12:15:14 PM
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Kuan-Ying Hsieh, El-Eulmi Bendeif, Sébastien Pillet, Abdelatif Doudouh, Dominik Schaniel, et al.. Structural reinvestigation of the photoluminescent complex [NdCl2(H2O)(6)]Cl. Acta Crystallographica Section C: Crystal Structure Communications, International Union of Crystallography, 2013, 69 (9, SI), pp.1002+. ⟨10.1107/S0108270113021367⟩. ⟨hal-01520996⟩



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