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

Crystals

卷:9

Daniel Errandonea¹  Mohamed Bouchenafa²  Zoulikha Hebboul³  Djamal Benbertal³  Abdelnour Benmakhlouf⁴  Christine Galez⁵  Sandrine Beauquis⁵  Yannick Mugnier⁵ 

[1] Departamento de Física Aplicada-ICMUV-MALTA Consolider Team, Universitat de València, c/Dr. Moliner 50, 46100 Burjassot (Valencia), Spain;

[2] Fundamental and Applied Physics Laboratory-Physics Departement, University of Blida 1, route de Soumaa BP 270, Blida 09000, Algeria;

[3] Laboratoire Physico-Chimie des Matériaux (LPCM), University Amar Telidji of Laghouat, BP 37G, Ghardaïa Road, Laghouat 03000, Algeria;

[4] Laboratoire de caracterisation et Valorisation des Ressources Naturelles, Universite de Bordj Bou-Arreiridj, El-Anasser 34030, Algeria;

[5] Univ. Savoie Mont Blanc, SYMME, F-74000 Annecy, France;

关键词: iodate;    crystal structure;    x-ray diffraction;    density functional theory;    infrared absorption;   

DOI  :  10.3390/cryst9090464

来源: DOAJ

【 摘 要 】

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 β = 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.

【 授权许可】

Unknown