Preparation, structure, and properties of a series of anisotropic oxychloride cluster compounds AxNb6Cl12O2 (A=K, Rb, Cs, or In)

Ekaterina V. Anokhina, Cynthia S. Day, Hans Jürgen Meyer, Markus Ströbele, Susan M. Kauzlarich, Hyungrak Kim, Myung Hwan Whangbo, Abdessadek Lachgar

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

In the course of our investigation aimed at the preparation of anisotropic cluster materials using a combination of oxide and chloride ligands to induce directional bonding preferences in the cluster unit, a series of niobium oxychloride cluster compounds AxNb6Cl12O2 (A = K, x=0.72(2); A=Rb, x=0.736(7); A=Cs, x=0.938(4); A=In, x=0.634(8)) was obtained by solid state synthesis. The cluster framework is based on (Nb6Cl10iO2i)Cl4 aO2a clusters connected via oxide ligands in the a direction with two Nb-O linkages between adjacent clusters, which resembles intercluster bonding in Chevrel-Sergent phases, while in the other two directions, the linkages occur through single Cla-a bridges. The framework generates channels where the cations A+ are located. The electronic band structure of the series features a narrow partially occupied band originating from a Nb-Nb bonding state. Magnetic and ESR measurements show the presence of localized unpaired electrons, and resistivity measurements indicate a semiconducting behavior.

Original languageEnglish (US)
Pages (from-to)218-228
Number of pages11
JournalJournal of Alloys and Compounds
Volume338
Issue number1-2 SPEC.
DOIs
StatePublished - May 16 2002

Keywords

  • Anisotropic materials
  • Band structure
  • Clusters
  • Crystal structure
  • Niobium
  • Oxychlorides

ASJC Scopus subject areas

  • Metals and Alloys

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    Anokhina, E. V., Day, C. S., Meyer, H. J., Ströbele, M., Kauzlarich, S. M., Kim, H., Whangbo, M. H., & Lachgar, A. (2002). Preparation, structure, and properties of a series of anisotropic oxychloride cluster compounds AxNb6Cl12O2 (A=K, Rb, Cs, or In). Journal of Alloys and Compounds, 338(1-2 SPEC.), 218-228. https://doi.org/10.1016/S0925-8388(02)00234-7