Title
A pseudo-tetragonal tungsten bronze superstructure: A combined solution of the crystal structure of K<inf>6.4</inf>(Nb,Ta)<inf>36.3</inf>O<inf>94</inf> with advanced transmission electron microscopy and neutron diffraction
Date Issued
01 January 2016
Access level
metadata only access
Resource Type
journal article
Author(s)
PARIA SENA, ROBERT
Babaryk A.
Khainakov S.
Garcia-Granda S.
Slobodyanik N.
Van Tendeloo G.
Abakumov A.
Hadermann J.
University of Antwerp
Publisher(s)
Royal Society of Chemistry
Abstract
The crystal structure of the K6.4Nb28.2Ta8.1O94 pseudo-tetragonal tungsten bronze-type oxide was determined using a combination of X-ray powder diffraction, neutron diffraction and transmission electron microscopy techniques, including electron diffraction, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), annular bright field STEM (ABF-STEM) and energy-dispersive X-ray compositional mapping (STEM-EDX). The compound crystallizes in the space group Pbam with unit cell parameters a = 37.468(9) Å, b = 12.493(3) Å, c = 3.95333(15) Å. The structure consists of corner sharing (Nb,Ta)O6 octahedra forming trigonal, tetragonal and pentagonal tunnels. All tetragonal tunnels are occupied by K+ ions, while 1/3 of the pentagonal tunnels are preferentially occupied by Nb5+/Ta5+ and 2/3 are occupied by K+ in a regular pattern. A fractional substitution of K+ in the pentagonal tunnels by Nb5+/Ta5+ is suggested by the analysis of the HAADF-STEM images. In contrast to similar structures, such as K2Nb8O21, also parts of the trigonal tunnels are fractionally occupied by K+ cations.
Start page
973
End page
979
Volume
45
Issue
3
Language
English
OCDE Knowledge area
Química
Electroquímica
Scopus EID
2-s2.0-84953924634
Source
Dalton Transactions
ISSN of the container
1477-9226
Sponsor(s)
Seventh Framework Programme 246791, 312483 FP7
Sources of information:
Directorio de Producción Científica
Scopus