Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5 K
Journal article, 2003

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.

Potassium Titanyl Phosphate


High Resolution

Low Temperature

10.5 K

Isomorphous Substitution

X-ray Diffraction

Crystal Structure


Stefan Norberg

Chalmers, Department of Materials and Surface Chemistry, Inorganic Chemistry

Alexander Sobolev

Victor Streltsov

Acta Crystallographica Section B: Structural Science

0108-7681 (ISSN) 1600-5740 (eISSN)

Vol. 59 3 353-360

Subject Categories

Inorganic Chemistry

More information