Acta Crystallographica Section B

Structural Science

Volume 56, Part 6 (December 2000)

Acta Cryst. (2000). B56, 980-987 [doi:10.1107/S0108768100012866]

Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation

S. T. Norberg, V. A. Streltsov, G. Svensson and J. Albertsson

Abstract: 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) Å] using a fast avalanche photodiode counter. Space group Pna2₁, Z = 8, a = 12.786 (2), b = 6.3927 (8), c = 10.5585 (9) Å, T = 293 (1) K, R = 0.028 (SrCrKTP); a = 12.851 (6), b = 6.418 (3), c = 10.620 (5) Å, 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.

Online 1 December 2000


	Structure factor file (CIF format) (408.7 kbytes) Contains datablock SrCrKTP

	Structure factor file (CIF format) (108.7 kbytes) Contains datablock BaKTP

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