Synthesis and study the crystal structure of polycrystalline a novel type phase in Zn- Pb- Zr intermetallic alloy by ab initio method via powder XRD system

Zn- Pb- Zr ternary intermetallic phases were synthesized by high-temperature solid-state synthesis. Structural characterization was performed by means of powder X-ray diffraction and energy dispersive X-ray analysis. X-ray powder diffraction coupled with Rietveld refinement reveals the sample’s phase purity we have prepared. Thermal behavior analysis shows Zn0.61 Pb0.91 Zr0.138 is very stable, it doesn’t decomposition until heated up to 998 °C. UV-visible absorption and diffuse reflection spectrum feature characteristic absorption bands of d-electron transition and main group metallic alloy given an optical band gap value of 3.65 eV. Magnetic susceptibilities measurement gives significant anti- ferromagnetic interactions between magnetic centers. The results further encourage the prospects of ternary Zn-Pb-Zr  alloy anodes to utilize in real energy storage applications The photo degradation experiment were performed to evaluate photocatalytic activities of Zn0.61 Pb0.91 Zr0.138 .The Rietveld refinement  parameters are a=8.731(A),b=8.734(A),c=5.929(A), GOF=1.214,Rwp=31.21,Rp=21.321 having hexagonal crystal system with primitive . P 63/m c m space group.