Abstract
This paper reports on the results of precision X-ray structural investigations of single crystals of the compounds KTi0.96Zr0.04OPO4 (at 293 K) and KTi0.97Zr0.03OPO4 (at 293 and 105 K). No significant splitting of the positions occupied by potassium atoms is revealed. This result is in agreement with a considerable decrease in the electrical conductivity of potassium titanyl phosphate KTiOPO4 (KTP) crystals doped with zirconium (KTP: Zr) as compared to crystals of undoped potassium titanyl phosphate. It is established that the difference between the Ti-O bond lengths in chains formed by titanium octahedra is not a single structural parameter responsible for the nonlinear optical properties of crystals in this series.
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