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

作者：Hsieh Kuan Ying; Bendeif El Eulmi^*; Pillet Sebastien; Doudouh Abdelatif; Schaniel Dominik; Woike Theo

来源：Acta Crystallographica Section C-Crystal Structure Communications, 2013, 69(9): 1002-+.

DOI：10.1107/S0108270113021367

• crystal structure
• rare earth materials
• neodymium compounds
• pair distribution function
• optically active compounds
• photoluminescent materials

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 PDF) calculated from the experimentally determined structure is used for the discussion of the local structure.

• 出版日期2013-9