Structural reinvestigation of the photoluminescent complex [NdCl2(H2O)6]Cl. (14th August 2013)

• Record Type: Journal Article
• Authors: Hsieh, Kuan‐Ying; Bendeif, El‐Eulmi; Pillet, Sebastien; Doudouh, Abdelatif; Schaniel, Dominik; Woike, Theo
• Is Part Of: Acta crystallographica. Volume 69:Part 9(2013:Sep.)
• Page Start: 1002
• Page End: 1005
• Publication Date: 2013-08-14
• Subjects: Crystallography -- Periodicals; Crystals -- Periodicals; 548.05
• DOI: 10.1107/S0108270113021367
• Languages: English
• ISSNs: 0108-2701

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>The structure of the photoluminescent compound hexaaquadichloridoneodymium(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...Cl intermolecular interactions. The pair distribution function (PDF) calculated from the experimentally determined structure is used for the discussion of the local structure.</p> </abstract>