Synthesis, Characterization, and Crystal Structure Determination of a New Lithium Zinc Iodate Polymorph LiZn(IO3)3

Abstract

Synthesis and characterization of anhydrous LiZn(IO3)3 powders prepared from an aqueous solution are reported. Morphological and compositional analyses were carried out by using scanning electron microscopy and energy-dispersive X-ray measurements. The synthesized powders exhibited a needle-like morphology after annealing at 400 °C. A crystal structure for the synthesized compound was proposed from powder X-ray diffraction and density-functional theory calculations. Rietveld refinements led to a monoclinic structure, which can be described with space group P21, number 4, and unit-cell parameters a = 21.874(9) Å, b = 5.171(2) Å, c = 5.433(2) Å, and  = 120.93(4)°. Density-functional theory calculations supported the same crystal structure. Infrared spectra were also collected, and the vibrations associated with the different modes were discussed. The non-centrosymmetric space group determined for this new polymorph of LiZn(IO3)3, the characteristics of its infrared absorption spectrum, and the observed second-harmonic generation suggest it is a promising infrared non-linear optical material.

High-Pressure Spectroscopy Study of Zn(IO3)2 Using Far-Infrared Synchrotron Radiation

“…x ] receive great attention because of their non-linear optical properties. In particular, they are promising materials for second-harmonic generation (SHG) [1][2][3][4]. They have been also proposed for applications as dielectric materials, in non-linear optics, and for desalination and water treatment [1][2][3][4].…”

“…In particular, they are promising materials for second-harmonic generation (SHG) [1][2][3][4]. They have been also proposed for applications as dielectric materials, in non-linear optics, and for desalination and water treatment [1][2][3][4]. Amongst the iodates, the quasi-two-dimensional zinc iodate, Zn(IO 3 ) 2 , has recently been studied by several research groups [5][6][7][8].…”

Simple New Method for the Preparation of La(IO₃)₃ Nanoparticles

“…Figure 3b shows the 1000-500 cm −1 region with greater resolution to facilitate the identification of modes associated with the iodate anion. In the FTIR spectrum there are contributions from H2O absorption bands around 1280-1650 cm -1 and 3400 cm −1 [20]. The most relevant information for α-La(IO3)3 is in the 1000-500 cm −1 region which is not affected by H2O absorption bands.…”

Structural and vibrational study of titanium Monophosphates Na0.5M0.25Ti2 (PO4)3 (M = Mn, Ni)

“…Based on the frequencies of the internal modes of the PO4 [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19] ion, in the first frequency domain, we assign the frequency lines 1131, 1074, 1020 and 1001 cm -1 to the antisymmetric vibrations of the ion PO4 3-. The 982 cm-1 frequency line is due to the symmetric valence vibrations relative to the PO4 3ion.…”