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Issue 12, 2007
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Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride

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Abstract

Structural characterisation of Bi2NbO5F was performed using X-ray and neutron powder diffraction and electron diffraction. Structural refinements show that the material adopts a distorted structure with significant rotation of the octahedra around two axes. The physical properties of the material have been investigated and show no evidence of polar symmetry. The structure is therefore best described by space group Pbca (a = 5.428(1) Å, b = 5.426(1) Å, c = 16.656(1) Å). Bond valence sum calculations suggest that ordering of the anions in the structure is favourable with the fluorine atoms preferring the apices of the NbX6 (X = O/F) octahedra.

Graphical abstract: Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride

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Publication details

The article was received on 26 Sep 2006, accepted on 06 Dec 2006 and first published on 04 Jan 2007


Article type: Paper
DOI: 10.1039/B613970A
Citation: J. Mater. Chem., 2007,17, 1193-1200

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    Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride

    E. E. McCabe, I. P. Jones, D. Zhang, N. C. Hyatt and C. Greaves, J. Mater. Chem., 2007, 17, 1193
    DOI: 10.1039/B613970A

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