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Structures of K0.05Na0.95NbO3 (50–300 K) and K0.30Na0.70NbO3 (100–200 K)

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Zhang, N. (Nan), Glazer, A. M. (Anthony Michael), Baker, Daniel William and Thomas, Pam A.. (2009) Structures of K0.05Na0.95NbO3 (50–300 K) and K0.30Na0.70NbO3 (100–200 K). Acta Crystallographica. Section B: Structural Science, Vol.65 (No.3). pp. 291-299. ISSN 0108-7681

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Official URL: http://dx.doi.org/10.1107/S0108768109011057

Abstract

Rietveld refinement using neutron powder diffraction data is reported for the potential lead-free piezoelectric material KxNa1 - xNbO3 (x = 0.05, x = 0.3) at low temperatures. The structures were determined to be of rhombohedral symmetry, space group R3c, with the tilt system a-a-a- for both compositions. It was found that some of the structural parameters differ significantly in the two structures, and particularly the NbO6 octahedral strains as a function of temperature. The 300 K profile for K0.05Na0.95NbO3 shows the coexistence of rhombohedral and monoclinic phases, which indicates that the phase boundary is close to room temperature; the phase boundary for K0.30Na0.70NbO3 is found to be at approximately 180 K.

Item Type: Journal Article
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Science > Physics
Library of Congress Subject Headings (LCSH): Rietveld method, X-ray crystallography -- Technique, Neutrons -- Diffraction, Piezoelectric materials, Matter -- Properties
Journal or Publication Title: Acta Crystallographica. Section B: Structural Science
Publisher: Wiley-Blackwell Munksgaard
ISSN: 0108-7681
Date: June 2009
Volume: Vol.65
Number: No.3
Page Range: pp. 291-299
Identification Number: 10.1107/S0108768109011057
Status: Peer Reviewed
Access rights to Published version: Open Access
Funder: Clarendon Fund (CF), Engineering and Physical Sciences Research Council (EPSRC)
References: Ahtee, M. & Glazer, A. M. (1976). Acta Cryst. A32, 434-446. Ahtee, M. & Hewat, A. W. (1975). Acta Cryst. A31, 846-850. Ahtee, M. & Hewat, A. W. (1978). Acta Cryst. A34, 309-317. Baker, D. W., Thomas, P. A., Zhang, N. & Glazer, A. M. (2009a). Acta Cryst. B65, 22-28. Baker, D. W., Thomas, P. A., Zhang, N. & Glazer, A. M. (2009b). In preparation. Brown, I. D. (1981). Structure and Bonding, Vol. 2. Berlin: Springer-Verlag. Coelho, A. A. (2005). J. Appl. Cryst. 38, 455-461. Darlington, C. N. W. & Megaw, H. D. (1973). Acta Cryst. B29, 2171-2185. Glazer, A. M. (1972). Acta Cryst. B28, 3384-3392. Glazer, A. M., Thomas, P. A., Baba-Kishi, K. Z., Pang, G. K. H. & Tai, C. W. (2004). Phys. Rev. B, 70, 184123. Hewat, A. W. (1973). J. Phys. C Solid State Phys. 6, 2559-2572. Hewat, A. W. (1979). Acta Cryst. A35, 248. Megaw, H. D. & Darlington, C. N. W. (1975). Acta Cryst. A31, 161-173. Mishra, S. K., Choudhury, N., Chaplot, S. L., Krishna, P. S. R. & Mittal, R. (2007). Phys. Rev. B, 76, 024110. Saito, Y., Takao, H., Tani, T., Nonoyama, T., Takatori, K., Homma, T., Nagaya, T. & Nakamura, M. (2004). Nature, 432, 84-87. Stokes, H. T., Kisi, E. H., Hatch, D. M. & Howard, C. J. (2002). Acta Cryst. B58, 934-938. Thomas, N. W. (1996). Acta Cryst. B52, 954-960.
URI: http://wrap.warwick.ac.uk/id/eprint/904

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