K-site splitting in KTiOPO4 at room temperature
Artikel i vetenskaplig tidskrift, 2005

The room-temperature structure of potassium titanyl phosphate (KTiOPO4, KTP) with Pna2(1) symmetry has been studied by means of synchrotron radiation. Each of the two crystallographically unique K1 and K2 cations is split over two sites that are shifted along the c direction by 0.287 (13) and 0.255 (13) angstrom for the K1a/b and K2a/b pairs, respectively. The refined populations of the minor K1b and K2b sites are 0.102 (12) and 0.132 (17), respectively. It is shown that accurate high-resolution synchrotron data (R-merged=0.015 for 25010 reflections, 9456 unique, sin theta/lambda limit>1.0) are required for the determination of a reliable structure model.

KTP Isostructures

Range 293-973 K

High Resolution

Nonlinear Optical Material

Potassium Titanyl Phosphate

X-ray Diffraction

Crystal Structure

Phase Transitions

Alkaline Displacements

Författare

Stefan Norberg

Chalmers, Kemi- och bioteknik, Oorganisk kemi

Nobuo Ishizawa

Acta Crystallographica Section C: Crystal Structure Communications

0108-2701 (ISSN) 1600-5759 (eISSN)

Vol. 61 10 i99-i102

Ämneskategorier

Oorganisk kemi