Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation
Artikel i vetenskaplig tidskrift, 2001

Structure factors for strontium/chromium- (Sr/Cr) and barium- (Ba) doped potassium titanyl phosphate (KTiOPO4, KTP) were measured with focused synchrotron X-radiation [0.75000 (9) Angstrom] using a fast avalanche photodiode counter. Space group Pna2(1), Z = 8,a = 12.786 (2), b = 6.3927 (8), c = 10.5585 (9) Angstrom, T = 293 (1) K, R = 0.028 (SrCrKTP); a = 12.851 (6), b = 6.418 (3), c = 10.620 (5) Angstrom, T = 120 (1) K, R = 0.031 (BaKTP). The refinement of the dopant positions showed that Ba2+ is positioned in the larger of the two K cavities of KTP, while the smaller Sr2+ ion is located in both. Split positions are found for the strontium dopant in both cavities and they are located in the positive c direction from the potassium cation. The chromium dopant has two different oxidation states, namely +III and +VI; in both states the dopant is located inside the TiO6 octahedra. The two structures show slightly less distorted TiO6 octahedra than pure KTP.

Crystal Structure

Potassium Titanyl Phosphate

Isomorphous Substitution


Stefan Norberg

Institutionen för oorganisk kemi

Victor Streltsov

Göran Svensson

Institutionen för oorganisk kemi

Jörgen Albertsson

Institutionen för oorganisk kemi

Acta Crystallographica Section B: Structural Science

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

Vol. 56 980-987


Oorganisk kemi