Synthesis, Structure and Optical Properties of  Novel Rare Earth Iodate K2Y(IO3)5

Abstract

Abstract: A new rare earth iodate K₂Y(IO₃)₅ has been synthesized by hydrothermal method in this paper. Its structure was determined by single crystal diffraction. The results show that K₂Y(IO₃)₅ crystallizes in triclinic crystal system with P1 space group. Its crystal cell parameters are a=10.069(6) Å, b=8.418(1) Å, c=11.754(2) Å, α=109.664(5)°, β=90.518(6)°, γ=91.565(5)°, Z=2. The structure of K₂Y(IO₃)₅ features a zero-dimensional [Y₂(IO₃)₁₀]^4- anion group, which further linked by K—O polyhedrons to construct the whole framework. In addition, UV-Vis-NIR diffuse reflection spectroscopy shows that K₂Y(IO₃)₅ has a wide transmission range about 0.25~12.46 μm. TG-DSC indicated that the thermal decomposition temperature of K₂Y(IO₃)₅ is 365 ℃. Meanwhile, the band structure of K₂Y(IO₃)₅ is also calculated using first principles. The results shows that the I-5p and O-2p orbits dominate the optical properties of the structure.

Key words: hydrothermal reaction, rare earth iodates, crystal, optical property, first principles calculation

CLC Number:

O782

HUANG Jiming, SHI Rongwei, LIU Runqing, REN Fuzhong, WANG Ziyang, LENG Senlin. Synthesis, Structure and Optical Properties of Novel Rare Earth Iodate K₂Y(IO₃)₅[J]. BULLETIN OF THE CHINESE CERAMIC SOCIETY, 2024, 43(4): 1532-1538.

References

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Synthesis, Structure and Optical Properties of Novel Rare Earth Iodate K₂Y(IO₃)₅

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