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Crystal structure of potassium titanyl phosphate doped with zirconium

机译:锆掺杂钛氧钛酸钾的晶体结构

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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.
机译:本文报道了化合物KTi0.96Zr0.04OPO4(在293 K)和KTi0.97Zr0.03OPO4(在293和105 K)的单晶的精确X射线结构研究结果。没有发现钾原子占据的位置有明显的分裂。该结果与掺杂有锆的磷酸钛氧基钾KTiOPO 4(KTP)晶体(KTP:Zr)的电导率相比未掺杂的磷酸钛氧基钾晶体的电导率显着降低是一致的。可以确定的是,八面体钛形成的链中Ti-O键长之间的差异不是导致该系列晶体非线性光学性质的单个结构参数。

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