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Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5 K

Stefan T. Norberg (Institutionen för material- och ytkemi, Oorganisk kemi) ; Alexander Sobolev ; Victor Streltsov
Acta Crystallographica Section B-Structural Science (0108-7681). Vol. 59 (2003), 3, p. 353-360.
[Artikel, refereegranskad vetenskaplig]

An accurate structure model of sodium-doped potassium titanyl phosphate, (Na0.114K0.886) K(TiO)(2)(PO4)(2), has been determined at 10.5 K by single-crystal X-ray diffraction. In addition to the low-temperature data, X-ray intensities have been collected at room temperature. When the temperature was decreased from room temperature to 10.5 K, both potassium cations moved 0.033 (2) Angstrom along the c-axis, i.e. in the polar direction within the rigid Ti-O-P network. This alkaline metal ion displacement can be related to the Abrahams-Jamieson-Kurtz T-C criteria for oxygen framework ferroelectrics. Potassium titanyl phosphate (KTP) is a well known material for second harmonic generation (SHG), and the influence of sodium dopant on the TiO6 octahedral geometry and SHG is discussed. The material studied crystallizes in the space group Pna2(1) with Z = 4, a = 12.7919 (5), b = 6.3798 (4), c = 10.5880 (7) Angstrom, V = 864.08 (9) Angstrom(3), T = 10.5 (3) K and R = 0.023.

Nyckelord: Potassium Titanyl Phosphate, KTiOPO4, Crystal Structure, Isomorphous Substitution, X-ray Diffraction, High Resolution, Low Temperature, 10.5 K

Denna post skapades 2009-09-09. Senast ändrad 2009-10-09.
CPL Pubid: 97683


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Institutioner (Chalmers)

Institutionen för material- och ytkemi, Oorganisk kemi (2002-2004)


Oorganisk kemi

Chalmers infrastruktur