Crystal structure of Cs2GdNb6Cl15O3 in the structural evolution of niobium oxychlorides with octahedral Nb6-cluster units

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Saronom Silaban, Maefa Eka Haryani, Fakhili Gulo, Christiane Perrin

2023 Acta Crystallographica Section E: Crystallographic Communications Vol. 79 Issue Pt 11 Article Cited by 0 Quartile

Abstract

Cs2GdNb6Cl15O3, dicaesium gadolinium hexaniobium pentadecachloride trioxide, was synthesized by solid-state reactions starting from a stoichiometric mixture of CsCl, Gd2O3, Nb, NbCl5, and Nb2O5. The crystal structure is based on octahedral Nb6 cluster units (point group symmetry 3.2) with composition [(Nb6Cli9Oi3)Cla6]5- where i and a denote inner and outer ligands. Cs2GdNb6Cl15O3 exhibits 14 valence electrons per cluster unit. The cluster units are linked to each other by CsI and GdIII atoms, whereby CsI (site symmetry 3..) is 12-coordinated by six Cli and six Cla ligands belonging to six neighboring cluster units and GdIII (site symmetry 3.2) is 9-coordinated by three Oi and six Cli ligands belonging to three adjacent cluster units. The arrangement of cluster units corresponds to a stacking of...AA0A... layers along [001]. Cs2GdNb6Cl15O3 is isotypic with Cs2UNb6Cl15O3. © 2023 International Union of Crystallography. All rights reserved.

Affiliations

Department of Chemistry, Medan State University, Medan, 20221, Indonesia; Department of Chemistry Education, Sriwijaya University, Inderalaya, South Sumatra, Ogan Ilir, 30662, Indonesia; Study Program of Environmental Science, Postgraduate Program, Sriwijaya University, South Sumatra, Palembang, 30139, Indonesia; Institut de Chimie de Rennes, Laboratoire de Chimie du Solide et Inorganique Moleculaire, UMR 6511, CNRS-Université de Rennes 1, Avenue du Gé né ral Leclerc, Rennes, Cedex 35042, France