XRD Dataset - Synthesis of pure LiNbO3 powders
Description
This dataset contains X-ray diffraction (XRD) data of polycrystalline lithium niobate synthesized by solid-state reaction, intended for subsequent single-crystal fiber growth. The synthesis was carried out using lithium carbonate (Li₂CO₃) and niobium oxide (Nb₂O₅) as precursors. To evaluate the influence of precursor quality on the final phase, both high-purity reagents (4N) and lower-purity alternatives (2N) were tested. The precursors were first dried and homogenized by ball milling with zirconia spheres and isopropyl alcohol for 6 hours. After drying the mixtures at 70–100 °C to remove residual solvent, the synthesis was performed using two different approaches: directly as powder and in the form of pellets. For pelletization, a uniaxial press was used (0.7–1 ton), followed by isostatic pressing at 50 tons for 5 minutes. The synthesis involved a two-step heating process: first from 30 °C to 800 °C at 5 °C/min, held for 6 h; then from 800 °C to 1150 °C at 5 °C/min, for 8 h. The files contain information on 2θ (degrees) and intensity (arbitrary units): 2N_Pellet.raw – XRD data for the sample synthesized using 2N-purity precursors, compacted as a pellet prior to the synthesis. 2N_Powder.raw – XRD data for the sample synthesized using 2N-purity precursors, processed directly in powder form prior to the synthesis. 4N_Pellet.raw – XRD data for the sample synthesized using high-purity 4N precursors, compacted as a pellet prior to the synthesis. 4N_Powder.raw – XRD data for the sample synthesized using high-purity 4N precursors, processed directly in powder form prior to the synthesis. For the synthesis of iron-doped lithium niobate, ferric oxide (Fe₂O₃, 4N) was used as the dopant. The main difference in this process was the homogenization step, which was extended to 12 hours . In this case, the synthesis was carried out in pellet form. LN_Fe0.05%.raw – XRD data for the sample synthesized using 4N-purity precursors with 0.05% mol iron (Fe) doping The files are also provided in .xls format in the folder named "DRX" -> "LiNbO3 and LiNbO3_Fe (.xls)" for easier access and visualization.