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Doudouh, Abdelatif
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article
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.