Contributions Dedicated to Professor Arndt Simon on the Occasion of His 70th Birthday

Crystal Structure and Physical Properties of RbNb4Br11†

  1. Katja Habermehl1,
  2. Holger Kleinke2,
  3. Gerd Meyer Prof. Dr.1,*

Article first published online: 10 DEC 2009

DOI: 10.1002/zaac.200900427

Issue

Zeitschrift für anorganische und allgemeine Chemie

Zeitschrift für anorganische und allgemeine Chemie

Special Issue: Dedicated to Professor Arndt Simon on the Occasion of His 70th Birthday

Volume 636, Issue 1, pages 50–53, January 2010

Additional Information

How to Cite

Habermehl, K., Kleinke, H. and Meyer, G. (2010), Crystal Structure and Physical Properties of RbNb4Br11. Zeitschrift für anorganische und allgemeine Chemie, 636: 50–53. doi: 10.1002/zaac.200900427

Author Information

  1. 1

    Universität zu Köln, Department für Chemie, Greinstr. 6, 50939 Köln, Germany

  2. 2

    Department of Chemistry, University of Waterloo, Waterloo, ON/Canada N2L3G1

*Universität zu Köln, Department für Chemie, Greinstr. 6, 50939 Köln, Germany, Fax: +49-221-470-5083

  • †

    Dedicated to Professor Arndt Simon on the Occasion of His 70th Birthday

Publication History

  1. Issue published online: 22 DEC 2009
  2. Article first published online: 10 DEC 2009
  3. Manuscript Accepted: 10 DEC 2009
  4. Manuscript Received: 5 SEP 2009

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Keywords:

  • Niobium;
  • Bromine;
  • Crystal structure;
  • Electronic structure;
  • Conductivity

Abstract

RbNb4Br11 was obtained by a solid state reaction of niobium powder, NbBr5 and RbBr in a sealed niobium tube at 500 °C. It crystallizes in the orthorhombic space group Pmma with a = 1699.5(1), b = 726.7(1), c = 694.5(1) pm, V = 857.6(1)·106 pm3, Z = 2 and is isotypic with CsNb4Br11. Four niobium atoms build a cluster in the shape of a rhombus with bonding distances of 295 pm (Nb1–Nb2) and 304 pm (Nb2–Nb2), respectively. The structure consists of [{Nb4}Br6iBr10/2a–a]–cluster complex anions that are interconnected by two common edges and two faces to the next cluster complexes, thus forming a 2D undulated layer structure. The Rb+ ion is coordinated by 12 Br– ions in the shape of an anticuboctahedron. Electronic structure calculations indicate the presence of a band gap of approximately 0.33 eV. This is experimentally confirmed by an electrical conductivity measurement revealing a slightly higher gap of 0.46 eV.

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