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|Title: ||Anomalous lattice parameter increase in alkali earth aluminium substituted tungsten defect pyrochlores.|
|Authors: ||Thorogood, GJ|
|Keywords: ||Lattice Parameters|
Alkaline Earth Metal Compounds
|Issue Date: ||Mar-2009|
|Citation: ||Thorogood, G. J., Kennedy, B. J., Peterson, V. K., Elcombe, M. M., Kearley, G. J., Hanna, J. V., et al. (2009). Anomalous lattice parameter increase in alkali earth aluminium substituted tungsten defect pyrochlores. Journal of Solid State Chemistry, 182(3), 457-464.|
|Abstract: ||The structures of the defect pyrochlores AAl(0.33)W(1.67)O(6) where A = K, Rb or Cs have been investigated using X-ray and neutron powder diffraction methods as well as the ab initio modelling program VASP The three cubic pyrochlores exhibit a non-linear increase in lattice parameter with respect to ionic radius of the A cation as a consequence of displacive disorder of the A-type cations. Solid state Al-27 MAS NMR studies of this pyrochlore system reveal shifts in the delta-21-22 ppm range that are indicative of pseudo-5 coordinate Al environments and emanate frorn distorted Al octahedral with one abnormally long Al. O bond. Solid state K-39, Rb-85, Rb-87 and Cs-133 MAS and static NMR Studies reflect the local cation disorder demonstrated in the structural Studies. © 2008, Elsevier Ltd.|
|Appears in Collections:||Journal Articles|
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